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366 papers • 8,856 citations • Sorted by year • Download PDF (PDF by citations)
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1Binding the Power of Cycloaddition and Cross-Coupling in a Single Mechanism: An Unexpected Bending Journey to Radical Chemistry of Butadiynyl with Conjugated Dienes4.60Citations (PDF)
2Directed Gas-Phase Formation of Azulene (C<sub>10</sub>H<sub>8</sub>): Unraveling the Bottom-Up Chemistry of Saddle-Shaped Aromatics
ACS Central Science, 2025, 11, 322-330
9.60Citations (PDF)
3Computational Study of the Gas-Phase Thermal Degradation and the Reaction Rate Coefficients of Perfluoroalkyl Ether Carboxylic Acids
Journal of Physical Chemistry A, 2025, 129, 1856-1868
2.70Citations (PDF)
4One Collision—Two Substituents: Gas‐Phase Preparation of Xylenes under Single‐Collision Conditions15.00Citations (PDF)
5One Collision—Two Substituents: Gas‐Phase Preparation of Xylenes under Single‐Collision Conditions
Angewandte Chemie, 2024, 136,
1.50Citations (PDF)
6Reaction rate coefficient study of the perfluoroalkyl and ω-Perfluoroalkyloic acid radicals
Chemical Physics Letters, 2024, 838, 141077
2.82Citations (PDF)
7Elucidating the chemical dynamics of the elementary reactions of the 1-propynyl radical (CH<sub>3</sub>CC; X<sup>2</sup>A<sub>1</sub>) with 2-methylpropene ((CH<sub>3</sub>)<sub>2</sub>CCH<sub>2</sub>; X<sup>1</sup>A<sub>1</sub>)2.81Citations (PDF)
8Phenalenyl growth reactions and implications for prenucleation chemistry of aromatics in flames2.82Citations (PDF)
9Transformation of Mercurous [Hg(I)] Species during Laboratory Standard Preparation and Analysis: Implication for Environmental Analysis11.32Citations (PDF)
10Methanetriol─Formation of an Impossible Molecule15.70Citations (PDF)
11Exploring the chemical dynamics of phenanthrene (C<sub>14</sub>H<sub>10</sub>) formation <i>via</i> the bimolecular gas-phase reaction of the phenylethynyl radical (C<sub>6</sub>H<sub>5</sub>CC) with benzene (C<sub>6</sub>H<sub>6</sub>)
Faraday Discussions, 2024, 251, 509-522
2.72Citations (PDF)
12Low-temperature formation of pyridine and (iso)quinoline via neutral–neutral reactions
Nature Astronomy, 2024, 8, 856-864
6.90Citations (PDF)
13Fulvenallenyl Radical (C<sub>7</sub>H<sub>5</sub><sup>·</sup>)-Mediated Gas-Phase Synthesis of Bicyclic Aromatic C<sub>10</sub>H<sub>8</sub> Isomers: Can Fulvenallenyl Efficiently React with Closed-Shell Hydrocarbons?
Journal of Physical Chemistry A, 2024, 128, 5707-5720
2.71Citations (PDF)
14Development of the detailed mechanism of pyrolysis and combustion of triphenyl phosphate: New quantum chemistry calculations and experimental data on structure of the H2/O2/Ar flame doped with TPP
Combustion and Flame, 2024, 266, 113534
6.00Citations (PDF)
15Gas-Phase Structures of Fucosylated Oligosaccharides: Alkali Metal and Halogen Influences
Journal of Physical Chemistry B, 2024, 128, 8869-8877
2.90Citations (PDF)
16Low-temperature gas-phase formation of cyclopentadiene and its role in the formation of aromatics in the interstellar medium7.70Citations (PDF)
17Monomer size effect in inelastic collisional dynamics of non-equilibrium soot nucleation3.00Citations (PDF)
18Theoretical study on the mechanism and kinetics of the oxidation of allyl radical with atomic and molecular oxygen
Combustion and Flame, 2023, 257, 112388
6.04Citations (PDF)
19Bay capping via acetylene addition to polycyclic aromatic hydrocarbons: Mechanism and kinetics4.45Citations (PDF)
20Mechanistical study on the formation of hydroxyacetone (CH<sub>3</sub>COCH<sub>2</sub>OH), methyl acetate (CH<sub>3</sub>COOCH<sub>3</sub>), and 3-hydroxypropanal (HCOCH<sub>2</sub>CH<sub>2</sub>OH) along with their enol tautomers (prop-1-ene-1,2-diol (CH<sub>3</sub>C(OH)CHOH), prop-2-ene-1,2-diol (CH<sub>2</sub>C(OH)CH<sub>2</sub>OH), 1-methoxyethen-1-ol (CH<sub>3</sub>OC(OH)CH<sub>2</sub>) and prop-1-ene-1,3-diol (HOCH<sub>2</sub>CHCHOH)) in interstellar ice analogs2.813Citations (PDF)
21Reaction of propionitrile with methylidyne: A theoretical study1.51Citations (PDF)
22High-temperature thermal decomposition of triphenyl phosphate vapor in an inert medium: Flow reactor pyrolysis, quantum chemical calculations, and kinetic modeling
Combustion and Flame, 2023, 249, 112614
6.05Citations (PDF)
23Exotic Reaction Dynamics in the Gas-Phase Preparation of Anthracene (C<sub>14</sub>H<sub>10</sub>) via Spiroaromatic Radical Transients in the Indenyl–Cyclopentadienyl Radical–Radical Reaction15.76Citations (PDF)
24Radical–Radical Reactions in Molecular Weight Growth: The Phenyl + Propargyl Reaction
Journal of Physical Chemistry A, 2023, 127, 2577-2590
2.77Citations (PDF)
25Elucidating the Formation of Ethynylbutatrienylidene (HCCCHCCC; X<sup>1</sup>A′) in the Taurus Molecular Cloud (TMC-1) via the Gas-phase Reaction of Tricarbon (C<sub>3</sub>) with the Propargyl Radical (C<sub>3</sub>H<sub>3</sub>)10.53Citations (PDF)
26Gas phase synthesis of the C40 nano bowl C40H1014.19Citations (PDF)
27Anticancer Drug Doxorubicin Spontaneously Reacts with GTP and dGTP3.92Citations (PDF)
28Gas-phase detection of oxirene
Science Advances, 2023, 9,
11.36Citations (PDF)
29Unconventional gas-phase preparation of the prototype polycyclic aromatic hydrocarbon naphthalene (C<sub>10</sub>H<sub>8</sub>) <i>via</i> the reaction of benzyl (C<sub>7</sub>H<sub>7</sub>) and propargyl (C<sub>3</sub>H<sub>3</sub>) radicals coupled with hydrogen-atom assisted isomerization
Chemical Science, 2023, 14, 5369-5378
7.511Citations (PDF)
30Synthesis of interstellar propen-2-ol (CH<sub>3</sub>C(OH)CH<sub>2</sub>) – the simplest enol tautomer of a ketone2.82Citations (PDF)
31Quantum Tunneling Mediated Low-Temperature Synthesis of Interstellar Hemiacetals4.66Citations (PDF)
32Exploring the Chemical Dynamics of Phenylethynyl Radical (C<sub>6</sub>H<sub>5</sub>CC; X<sup>2</sup>A<sub>1</sub>) Reactions with Allene (H<sub>2</sub>CCCH<sub>2</sub>; X<sup>1</sup>A<sub>1</sub>) and Methylacetylene (CH<sub>3</sub>CCH; X<sup>1</sup>A<sub>1</sub>)
Journal of Physical Chemistry A, 2023, 127, 5723-5733
2.75Citations (PDF)
33Gas-Phase Synthesis of Coronene through Stepwise Directed Ring Annulation15.74Citations (PDF)
34Gas-phase preparation of azulene (C<sub>10</sub>H<sub>8</sub>) and naphthalene (C<sub>10</sub>H<sub>8</sub>) <i>via</i> the reaction of the resonantly stabilized fulvenallenyl (C<sub>7</sub>H<sub>5</sub>˙) and propargyl (C<sub>3</sub>H<sub>3</sub>˙) radicals
Chemical Science, 2023, 14, 9795-9805
7.510Citations (PDF)
35Gas-phase formation of the resonantly stabilized 1-indenyl (C <sub>9</sub> H <sub>7</sub> <sup>•</sup> ) radical in the interstellar medium
Science Advances, 2023, 9,
11.37Citations (PDF)
36Plasmon-mediated dehydrogenation of the aromatic methyl group and benzyl radical formation
Chemical Science, 2023, 14, 13951-13961
7.53Citations (PDF)
37The Reaction of <i>o</i>‐Benzyne with Vinylacetylene: An Unexplored Way to Produce Naphthalene
ChemPhysChem, 2022, 23,
2.09Citations (PDF)
38Combustion chemistry of alkenes and alkadienes40.142Citations (PDF)
39The Role of Methylaryl Radicals in the Growth of Polycyclic Aromatic Hydrocarbons: The Formation of Five-Membered Rings
Journal of Physical Chemistry A, 2022, 126, 1233-1244
2.713Citations (PDF)
40Unconventional excited-state dynamics in the concerted benzyl (C7H7) radical self-reaction to anthracene (C14H10)14.124Citations (PDF)
41Radical–Radical Reaction Dynamics Probed Using Millimeterwave Spectroscopy: Propargyl + NH<sub>2</sub>/ND<sub>2</sub>4.65Citations (PDF)
42Cleavage of an aromatic ring and radical migration
Faraday Discussions, 2022, 238, 512-528
2.73Citations (PDF)
43Density Functional Theory Study of the Oxygen Reduction Reaction Mechanism on Graphene Doped with Nitrogen and a Transition Metal
ACS Omega, 2022, 7, 7066-7073
4.415Citations (PDF)
44Gas-Phase Study of the Elementary Reaction of the D1-Ethynyl Radical (C<sub>2</sub>D; X<sup>2</sup>Σ<sup>+</sup>) with Propylene (C<sub>3</sub>H<sub>6</sub>; X<sup>1</sup>A′) under Single-Collision Conditions
Journal of Physical Chemistry A, 2022, 126, 1889-1898
2.76Citations (PDF)
45Hierarchical porous N-doped carbon-supported PtCu nanoparticles as an efficient catalyst for oxygen reduction reaction
Journal of Power Sources, 2022, 533, 231270
8.012Citations (PDF)
46Formation of Benzene and Naphthalene through Cyclopentadienyl-Mediated Radical–Radical Reactions4.624Citations (PDF)
47Direct H abstraction by molecular oxygen from unsaturated C3–C5 hydrocarbons: A theoretical study1.54Citations (PDF)
48Mechanism of E-bridge formation by various PAH molecules: A theoretical study
Chemical Physics Letters, 2022, 799, 139637
2.88Citations (PDF)
49Gas-Phase Preparation of Subvalent Germanium Monoxide (GeO, X<sup>1</sup><b>Σ</b><sup>+</sup>) via Non-Adiabatic Reaction Dynamics in the Exit Channel4.64Citations (PDF)
50Probing the Intermediates of Catalyzed Dehydration Reactions of Primary Amide to Nitrile in Plasmonic Junctions
ACS Catalysis, 2022, 12, 7737-7747
12.717Citations (PDF)
51Chromatographic framework for coffee ring effect-driven separation of small molecules in surface enhanced Raman spectroscopy analysis
Talanta, 2022, 250, 123688
6.03Citations (PDF)
52Direct and Water-Mediated Adsorption of Stabilizers on SERS-Active Colloidal Bimetallic Plasmonic Nanomaterials: Insight into Citrate–AuAg Interactions from DFT Calculations
Journal of Physical Chemistry A, 2022, 126, 5236-5251
2.74Citations (PDF)
53Gas-phase synthesis of racemic helicenes and their potential role in the enantiomeric enrichment of sugars and amino acids in meteorites2.86Citations (PDF)
54A crossed molecular beams and computational study on the unusual reactivity of banana bonds of cyclopropane (c-C<sub>3</sub>H<sub>6</sub>; ) through insertion by ground state carbon atoms (C(<sup>3</sup>P<sub><i>j</i></sub>))2.81Citations (PDF)
55Directed gas phase preparation of ethynylallene (H<sub>2</sub>CCCHCCH; X<sup>1</sup>A′) <i>via</i> the crossed molecular beam reaction of the methylidyne radical (CH; X<sup>2</sup>Π) with vinylacetylene (H<sub>2</sub>CCHCCH; X<sup>1</sup>A′)2.87Citations (PDF)
56Computational Study of the Gas-Phase Thermal Degradation of Perfluoroalkyl Carboxylic Acids
Journal of Physical Chemistry A, 2022, 126, 8753-8760
2.79Citations (PDF)
57Crystal Structure, Hirshfeld Analysis, and DFT Calculations of Three Trinuclear Cu(II) Polymorphs
Crystals, 2022, 12, 1611
2.30Citations (PDF)
58On the Mechanism of Soot Nucleation. IV. Molecular Growth of the Flattened E-Bridge
Journal of Physical Chemistry A, 2022, 126, 9259-9267
2.77Citations (PDF)
59Acceleration of a Chemical Reaction due to Nonequilibrium Collisional Dynamics: Dimerization of Polyaromatics4.66Citations (PDF)
60Formation of Thioformic Acid (HCOSH)─The Simplest Thioacid─in Interstellar Ice Analogues
Journal of Physical Chemistry A, 2022, 126, 9699-9708
2.712Citations (PDF)
61Gas-Phase Formation of 1,3,5,7-Cyclooctatetraene (C<sub>8</sub>H<sub>8</sub>) through Ring Expansion via the Aromatic 1,3,5-Cyclooctatrien-7-yl Radical (C<sub>8</sub>H<sub>9</sub><sup>•</sup>) Transient15.76Citations (PDF)
62Formation of phenanthrenyl radicals via the reaction of acenaphthyl with acetylene4.413Citations (PDF)
63Directed Gas Phase Formation of the Elusive Silylgermylidyne Radical (H 3 SiGe, X 2 A′′)
ChemPhysChem, 2021, 22, 184-191
2.02Citations (PDF)
64Experimental and numerical studies of downward flame spread over PMMA with and without addition of tri phenyl phosphate4.420Citations (PDF)
65A molecular beam and computational study on the barrierless gas phase formation of (iso)quinoline in low temperature extraterrestrial environments2.89Citations (PDF)
66Gas-Phase Formation of C<sub>5</sub>H<sub>6</sub> Isomers via the Crossed Molecular Beam Reaction of the Methylidyne Radical (CH; X<sup>2</sup>Π) with 1,2-Butadiene (CH<sub>3</sub>CHCCH<sub>2</sub>; X<sup>1</sup>A′)2.76Citations (PDF)
67Low-temperature gas-phase formation of indene in the interstellar medium
Science Advances, 2021, 7,
11.355Citations (PDF)
68Gas-phase pyrolysis of <i>trans</i> 3-pentenenitrile: competition between direct and isomerization-mediated dissociation2.85Citations (PDF)
69Mechanism and kinetics of the oxidation of 1,3-butadien-1-yl (<i>n</i>-C<sub>4</sub>H<sub>5</sub>): a theoretical study2.83Citations (PDF)
70On the Synthesis of the Astronomically Elusive 1-Ethynyl-3-Silacyclopropenylidene (c-SiC<sub>4</sub>H<sub>2</sub>) Molecule in Circumstellar Envelopes of Carbon-rich Asymptotic Giant Branch Stars and Its Potential Role in the Formation of the Silicon Tetracarbide Chain (SiC<sub>4</sub>)10.58Citations (PDF)
71Transformation of an Embedded Five-Membered Ring in Polycyclic Aromatic Hydrocarbons via the Hydrogen-Abstraction–Acetylene-Addition Mechanism: A Theoretical Study
Journal of Physical Chemistry A, 2021, 125, 3341-3354
2.712Citations (PDF)
72Theoretical Study of the Phenoxy Radical Recombination with the O(<sup>3</sup>P) Atom, Phenyl plus Molecular Oxygen Revisited
Journal of Physical Chemistry A, 2021, 125, 3965-3977
2.717Citations (PDF)
73Gas-phase synthesis of benzene via the propargyl radical self-reaction
Science Advances, 2021, 7,
11.348Citations (PDF)
74Combined Crossed Molecular Beams and Ab Initio Study of the Bimolecular Reaction of Ground State Atomic Silicon (Si; 3 P) with Germane (GeH 4 ; X 1 A 1 )
ChemPhysChem, 2021, 22, 1497-1504
2.01Citations (PDF)
75Theoretical Study of the Mechanism and Kinetics of the Oxidation of Cyclopenta[<i>a</i>]Naphthalenyl Radical C<sub>13</sub>H<sub>9</sub> with Molecular Oxygen
Journal of Physical Chemistry A, 2021, 125, 6796-6804
2.73Citations (PDF)
76On the Mechanism of Soot Nucleation. III. The Fate and Facility of the E-Bridge
Journal of Physical Chemistry A, 2021, 125, 6789-6795
2.79Citations (PDF)
77Directed Gas-Phase Formation of Aminosilylene (HSiNH<sub>2</sub>;<b>X</b><sup><b>1</b></sup>A′): The Simplest Silicon Analogue of an Aminocarbene, under Single-Collision Conditions15.76Citations (PDF)
78Gas-phase synthesis of corannulene – a molecular building block of fullerenes2.818Citations (PDF)
79Theoretical Study of the Reaction of the Methylidyne Radical (CH; X<sup>2</sup>Π) with 1-Butyne (CH<sub>3</sub>CH<sub>2</sub>CCH; X<sup>1</sup>A′)
Journal of Physical Chemistry A, 2021, 125, 9536-9547
2.72Citations (PDF)
80Ozone destruction due to the recombination of oxygen atoms3.05Citations (PDF)
81Gas-phase Synthesis of Silaformaldehyde (H<sub>2</sub>SiO) and Hydroxysilylene (HSiOH) in Outflows of Oxygen-rich Asymptotic Giant Branch Stars10.50Citations (PDF)
82A chemical dynamics study of the reaction of the methylidyne radical (CH, X<sup>2</sup>Π) with dimethylacetylene (CH<sub>3</sub>CCCH<sub>3</sub>, X<sup>1</sup>A<sub>1g</sub>)2.814Citations (PDF)
83Conversion of acenaphthalene to phenalene via methylation: A theoretical study
Combustion and Flame, 2020, 213, 302-313
6.026Citations (PDF)
84A Unified Mechanism on the Formation of Acenes, Helicenes, and Phenacenes in the Gas Phase15.019Citations (PDF)
85Iodoindenes: Synthesis and application to cross-coupling
Tetrahedron Letters, 2020, 61, 152427
1.52Citations (PDF)
86Formation of Phenanthrene via Recombination of Indenyl and Cyclopentadienyl Radicals: A Theoretical Study
Journal of Physical Chemistry A, 2020, 124, 9933-9941
2.721Citations (PDF)
87A chemical dynamics study on the gas-phase formation of triplet and singlet C <sub>5</sub> H <sub>2</sub> carbenes7.722Citations (PDF)
88Formation of phenanthrene via H‐assisted isomerization of 2‐ethynylbiphenyl produced in the reaction of phenyl with phenylacetylene1.514Citations (PDF)
89Gas phase formation of cyclopentanaphthalene (benzindene) isomers <i>via</i> reactions of 5- and 6-indenyl radicals with vinylacetylene2.816Citations (PDF)
90Gas Phase Synthesis of the Elusive Trisilacyclopropyl Radical (Si<sub>3</sub>H<sub>5</sub>) via Unimolecular Decomposition of Chemically Activated Doublet Trisilapropyl Radicals (Si<sub>3</sub>H<sub>7</sub>)4.61Citations (PDF)
91A chemical dynamics study on the gas phase formation of thioformaldehyde (H<sub>2</sub>CS) and its thiohydroxycarbene isomer (HCSH)7.720Citations (PDF)
92Energies and molecular parameters involved in the reaction of CH + 1, 3-butadiene
AIP Conference Proceedings, 2020, 2304, 020005
0.10Citations (PDF)
93Gas‐Phase Synthesis of 3‐Vinylcyclopropene via the Crossed Beam Reaction of the Methylidyne Radical (CH; X 2 Π) with 1,3‐Butadiene (CH 2 CHCHCH 2 ; X 1 A g )
ChemPhysChem, 2020, 21, 1295-1309
2.08Citations (PDF)
94Gas Phase Identification of the Elusive <i>N</i>-Hydroxyoxaziridine (c-H<sub>2</sub>CON(OH)): A Chiral Molecule4.68Citations (PDF)
95Directed Gas Phase Formation of Silene (H 2 SiCH 2 )
Chemistry - A European Journal, 2020, 26, 13584-13589
3.54Citations (PDF)
96Theoretical study of the reaction mechanism and kinetics of the phenyl + propargyl association2.826Citations (PDF)
97A Unified Mechanism on the Formation of Acenes, Helicenes, and Phenacenes in the Gas Phase
Angewandte Chemie, 2020, 132, 4080-4087
1.56Citations (PDF)
98Gas phase formation of phenalene<i>via</i>10π-aromatic, resonantly stabilized free radical intermediates2.819Citations (PDF)
99Gas Phase Formation of Methylgermylene (HGeCH3)
ChemPhysChem, 2020, 21, 1898-1904
2.03Citations (PDF)
100On the mechanism of soot nucleation. II. E-bridge formation at the PAH bay2.816Citations (PDF)
101Revisiting diacetyl and acetic acid flames: The role of the ketene + OH reaction
Combustion and Flame, 2020, 218, 28-41
6.016Citations (PDF)
102The Elusive Ketene (H<sub>2</sub>CCO) Channel in the Infrared Multiphoton Dissociation of Solid 1,3,5‐Trinitro‐1,3,5‐Triazinane (RDX)
ChemPhysChem, 2020, 21, 837-842
2.06Citations (PDF)
103On the mechanism of soot nucleation2.8161Citations (PDF)
104Gas-Phase Formation of Fulvenallene (C<sub>7</sub>H<sub>6</sub>) via the Jahn–Teller Distorted Tropyl (C<sub>7</sub>H<sub>7</sub>) Radical Intermediate under Single-Collision Conditions15.716Citations (PDF)
105A Free‐Radical Prompted Barrierless Gas‐Phase Synthesis of Pentacene
Angewandte Chemie, 2020, 132, 11430-11434
1.55Citations (PDF)
106A Free‐Radical Prompted Barrierless Gas‐Phase Synthesis of Pentacene15.019Citations (PDF)
107Spectroscopic and Theoretical Insights into Surprisingly Effective Sm(III) Extraction from Alkaline Aqueous Media by <i>o</i>-Phenylenediamine-Derived Sulfonamides
Inorganic Chemistry, 2020, 59, 6884-6894
4.63Citations (PDF)
108On the low-temperature limit of HACA4.470Citations (PDF)
109Molecular mass growth through ring expansion in polycyclic aromatic hydrocarbons via radical–radical reactions14.175Citations (PDF)
110Directed Gas‐Phase Synthesis of Triafulvene under Single‐Collision Conditions
Angewandte Chemie, 2019, 131, 15634-15641
1.52Citations (PDF)
111Surface‐enhanced Raman spectroscopy, Raman, and density functional theoretical analyses of fentanyl and six analogs
Journal of Raman Spectroscopy, 2019, 50, 1405-1415
1.928Citations (PDF)
112How to add a five-membered ring to polycyclic aromatic hydrocarbons (PAHs) – molecular mass growth of the 2-naphthyl radical (C<sub>10</sub>H<sub>7</sub>) to benzindenes (C<sub>13</sub>H<sub>10</sub>) as a case study2.829Citations (PDF)
113Directed Gas‐Phase Synthesis of Triafulvene under Single‐Collision Conditions15.09Citations (PDF)
114Gas-Phase Formation of 1-Methylcyclopropene and 3-Methylcyclopropene via the Reaction of the Methylidyne Radical (CH; X<sup>2</sup>Π) with Propylene (CH<sub>3</sub>CHCH<sub>2</sub>; X<sup>1</sup>A′)
Journal of Physical Chemistry A, 2019, 123, 10543-10555
2.75Citations (PDF)
115Gas‐Phase Synthesis of Triphenylene (C<sub>18</sub>H<sub>12</sub>)
ChemPhysChem, 2019, 20, 791-797
2.014Citations (PDF)
116Elucidating the Chemical Dynamics of the Elementary Reactions of the 1-Propynyl Radical (CH<sub>3</sub>CC; X<sup>2</sup>A<sub>1</sub>) with Methylacetylene (H<sub>3</sub>CCCH; X<sup>1</sup>A<sub>1</sub>) and Allene (H<sub>2</sub>CCCH<sub>2</sub>; X<sup>1</sup>A<sub>1</sub>)
Journal of Physical Chemistry A, 2019, 123, 5446-5462
2.730Citations (PDF)
117Gas Phase Formation of the Interstellar Molecule Methyltriacetylene
ChemPhysChem, 2019, 20, 1912-1917
2.03Citations (PDF)
118Scission of the Five-Membered Ring in 1-<i>H</i>-Inden-1-one C<sub>9</sub>H<sub>6</sub>O and Indenyl C<sub>9</sub>H<sub>7</sub> in the Reactions with H and O Atoms
Journal of Physical Chemistry A, 2019, 123, 5741-5752
2.713Citations (PDF)
119Combined Experimental and Computational Study on the Reaction Dynamics of the 1-Propynyl (CH<sub>3</sub>CC)–1,3-Butadiene (CH<sub>2</sub>CHCHCH<sub>2</sub>) System and the Formation of Toluene under Single Collision Conditions
Journal of Physical Chemistry A, 2019, 123, 4104-4118
2.714Citations (PDF)
120Aggregation induced emission enhancement (AIEE) of tripodal pyrazole derivatives for sensing of nitroaromatics and vapor phase detection of picric acid
New Journal of Chemistry, 2019, 43, 7251-7258
2.525Citations (PDF)
121Reactivity of the Indenyl Radical (C<sub>9</sub>H<sub>7</sub>) with Acetylene (C<sub>2</sub>H<sub>2</sub>) and Vinylacetylene (C<sub>4</sub>H<sub>4</sub>)
ChemPhysChem, 2019, 20, 1437-1447
2.023Citations (PDF)
122The mechanism and rate constants for oxidation of indenyl radical C<sub>9</sub>H<sub>7</sub> with molecular oxygen O<sub>2</sub>: a theoretical study2.815Citations (PDF)
123Gas phase synthesis of [4]-helicene14.132Citations (PDF)
124Micro Solid Phase Extraction Surface-Enhanced Raman Spectroscopy (μ-SPE/SERS) Screening Test for the Detection of the Synthetic Cannabinoid JWH-018 in Oral Fluid
Analytical Chemistry, 2019, 91, 4780-4789
6.739Citations (PDF)
125Directed Gas-Phase Formation of the Germaniumsilylene Butterfly Molecule (Ge(μ-H<sub>2</sub>)Si)4.66Citations (PDF)
126Theoretical Study of the Reaction Mechanism and Kinetics of the Phenyl + Allyl and Related Benzyl + Vinyl Associations
Journal of Physical Chemistry A, 2019, 123, 1720-1729
2.714Citations (PDF)
127Rücktitelbild: Directed Gas‐Phase Synthesis of Triafulvene under Single‐Collision Conditions (Angew. Chem. 43/2019)
Angewandte Chemie, 2019, 131, 15700-15700
1.50Citations (PDF)
128A combined experimental and computational study on the reaction dynamics of the 1-propynyl radical (CH<sub>3</sub>CC; X<sup>2</sup>A<sub>1</sub>) with ethylene (H<sub>2</sub>CCH<sub>2</sub>; X<sup>1</sup>A<sub>1g</sub>) and the formation of 1-penten-3-yne (CH<sub>2</sub>CHCCCH<sub>3</sub>; X<sup>1</sup>A′)2.810Citations (PDF)
129A Barrierless Pathway Accessing the C9H9 and C9H8 Potential Energy Surfaces via the Elementary Reaction of Benzene with 1-Propynyl3.79Citations (PDF)
130Computational investigation of energy transfer and line broadening for Ar* + He collisions3.06Citations (PDF)
131Mechanism and rate constants of the CH 2 + CH 2 CO reactions in triplet and singlet states: A theoretical study4.912Citations (PDF)
132Directed gas phase formation of silicon dioxide and implications for the formation of interstellar silicates14.124Citations (PDF)
133A combined crossed molecular beams and computational study on the formation of distinct resonantly stabilized C<sub>5</sub>H<sub>3</sub>radicals<i>via</i>chemically activated C<sub>5</sub>H<sub>4</sub>and C<sub>6</sub>H<sub>6</sub>intermediates2.86Citations (PDF)
134Pyrene synthesis in circumstellar envelopes and its role in the formation of 2D nanostructures
Nature Astronomy, 2018, 2, 413-419
6.978Citations (PDF)
135Oxidation of cyclopentadienyl radical with molecular oxygen: A theoretical study
Combustion and Flame, 2018, 191, 309-319
6.023Citations (PDF)
136VUV Photoionization Study of the Formation of the Simplest Polycyclic Aromatic Hydrocarbon: Naphthalene (C<sub>10</sub>H<sub>8</sub>)4.668Citations (PDF)
137Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates III: Butylbenzene Isomers (<i>n</i>-, <i>s</i>-, and <i>t</i>-C<sub>14</sub>H<sub>10</sub>)
Journal of Physical Chemistry A, 2018, 122, 3980-4001
2.716Citations (PDF)
138Combined Experimental and Computational Investigation of the Elementary Reaction of Ground State Atomic Carbon (C; <sup>3</sup>P<sub><i>j</i></sub>) with Pyridine (C<sub>5</sub>H<sub>5</sub>N; X<sup>1</sup>A<sub>1</sub>) via Ring Expansion and Ring Degradation Pathways
Journal of Physical Chemistry A, 2018, 122, 3128-3139
2.79Citations (PDF)
139Reaction mechanism, rate constants, and product yields for the oxidation of Cyclopentadienyl and embedded five-member ring radicals with hydroxyl
Combustion and Flame, 2018, 187, 147-164
6.026Citations (PDF)
140Raman spectra of thiolated arsenicals with biological importance
Talanta, 2018, 179, 520-530
6.08Citations (PDF)
141Detailed, sterically-resolved modeling of soot oxidation: Role of O atoms, interplay with particle nanostructure, and emergence of inner particle burning
Combustion and Flame, 2018, 188, 284-306
6.087Citations (PDF)
142Rate constants for collision-induced emission of O<sub>2</sub>(a<sup>1</sup>Δ<sub>g</sub>) with He, Ne, Ar, Kr, N<sub>2</sub>, CO<sub>2</sub> and SF<sub>6</sub> as collisional partners2.83Citations (PDF)
143Low-temperature formation of polycyclic aromatic hydrocarbons in Titan’s atmosphere
Nature Astronomy, 2018, 2, 973-979
6.986Citations (PDF)
144Functional Relationships between Kinetic, Flow, and Geometrical Parameters in a High-Temperature Chemical Microreactor
Journal of Physical Chemistry A, 2018, 122, 8819-8827
2.729Citations (PDF)
145A Theoretical Study of Pyrolysis of <i>exo</i>-Tetrahydrodicyclopentadiene and Its Primary and Secondary Unimolecular Decomposition Products
Journal of Physical Chemistry A, 2018, 122, 4920-4934
2.726Citations (PDF)
146O<sub>2</sub>(b<sup>1</sup>Σ<sub>g</sub><sup>+</sup>) Removal by H<sub>2</sub>, CO, N<sub>2</sub>O, CH<sub>4</sub>, and C<sub>2</sub>H<sub>4</sub> in the 300–800 K Temperature Range
Journal of Physical Chemistry A, 2018, 122, 5283-5288
2.75Citations (PDF)
147A Combined Experimental and Computational Study on the Reaction Dynamics of the 1-Propynyl (CH<sub>3</sub>CC)–Acetylene (HCCH) System and the Formation of Methyldiacetylene (CH<sub>3</sub>CCCCH)
Journal of Physical Chemistry A, 2018, 122, 6663-6672
2.714Citations (PDF)
148Fundamental study of the ultrasonic induced degradation of the popular antihistamine, diphenhydramine (DPH)
Water Research, 2018, 144, 265-273
12.418Citations (PDF)
149Bimolecular Reaction Dynamics in the Phenyl–Silane System: Exploring the Prototype of a Radical Substitution Mechanism4.64Citations (PDF)
1501,3,5-Tris-(4-(iso-propyl)-phenylsulfamoylmethyl)benzene as a potential Am(III) extractant: experimental and theoretical study of Sm(III) complexation and extraction and theoretical correlation with Am(III)
Molecular Physics, 2018, 116, 2719-2727
2.43Citations (PDF)
151Pressure-dependent rate constants for PAH growth: formation of indene and its conversion to naphthalene
Faraday Discussions, 2017, 195, 637-670
2.783Citations (PDF)
152Combined Experimental and Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates. I. <i>n</i>-Decane (<i>n</i>-C<sub>10</sub>H<sub>22</sub>)
Journal of Physical Chemistry A, 2017, 121, 1261-1280
2.736Citations (PDF)
153Formation Mechanisms of Naphthalene and Indene: From the Interstellar Medium to Combustion Flames2.7148Citations (PDF)
154Combined Experimental and Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates. II: <i>n</i>-Dodecane (<i>n</i>-C<sub>12</sub>H<sub>26</sub>)
Journal of Physical Chemistry A, 2017, 121, 1281-1297
2.729Citations (PDF)
155A vacuum ultraviolet photoionization study on high-temperature decomposition of JP-10 (exo-tetrahydrodicyclopentadiene)2.840Citations (PDF)
156Reaction mechanism, rate constants, and product yields for unimolecular and H-assisted decomposition of 2,4-cyclopentadienone and oxidation of cyclopentadienyl with atomic oxygen
Combustion and Flame, 2017, 183, 181-193
6.035Citations (PDF)
157Reaction mechanism and product branching ratios of the CH + C<sub>3</sub>H<sub>4</sub> reactions: a theoretical study2.823Citations (PDF)
158A Free‐Radical Pathway to Hydrogenated Phenanthrene in Molecular Clouds—Low Temperature Growth of Polycyclic Aromatic Hydrocarbons
ChemPhysChem, 2017, 18, 1971-1976
2.013Citations (PDF)
159HACA's Heritage: A Free‐Radical Pathway to Phenanthrene in Circumstellar Envelopes of Asymptotic Giant Branch Stars15.056Citations (PDF)
160HACA's Heritage: A Free‐Radical Pathway to Phenanthrene in Circumstellar Envelopes of Asymptotic Giant Branch Stars
Angewandte Chemie, 2017, 129, 4586-4590
1.522Citations (PDF)
161O<sub>2</sub>(b<sup>1</sup>Σ<sub>g</sub><sup>+</sup>) Quenching by O<sub>2</sub>, CO<sub>2</sub>, H<sub>2</sub>O, and N<sub>2</sub> at Temperatures of 300–800 K
Journal of Physical Chemistry A, 2017, 121, 7343-7348
2.714Citations (PDF)
162Kinetic, product, and computational studies of the ultrasonic induced degradation of 4-methylcyclohexanemethanol (MCHM)
Water Research, 2017, 126, 164-171
12.418Citations (PDF)
163Gas‐Phase Synthesis of the Elusive Cyclooctatetraenyl Radical (C<sub>8</sub>H<sub>7</sub>) via Triplet Aromatic Cyclooctatetraene (C<sub>8</sub>H<sub>8</sub>) and Non‐Aromatic Cyclooctatriene (C<sub>8</sub>H<sub>8</sub>) Intermediates15.02Citations (PDF)
164Gas‐Phase Synthesis of the Elusive Cyclooctatetraenyl Radical (C 8 H 7 ) via Triplet Aromatic Cyclooctatetraene (C 8 H 8 ) and Non‐Aromatic Cyclooctatriene (C 8 H 8 ) Intermediates
Angewandte Chemie, 2017, 129, 13843-13848
1.53Citations (PDF)
165Rate constants for H abstraction from benzo(a)pyrene and chrysene: a theoretical study2.839Citations (PDF)
166Remarkably selective NH<sub>4</sub><sup>+</sup> binding and fluorescence sensing by tripodal tris(pyrazolyl) receptors derived from 1,3,5-triethylbenzene: structural and theoretical insights on the role of ion pairing
New Journal of Chemistry, 2017, 41, 14835-14838
2.516Citations (PDF)
167Kinetics of the CH<sub>3</sub> + C<sub>5</sub>H<sub>5</sub> Reaction: A Theoretical Study
Journal of Physical Chemistry A, 2017, 121, 9191-9200
2.730Citations (PDF)
168Temperature- and pressure-dependent rate coefficients for the HACA pathways from benzene to naphthalene4.4128Citations (PDF)
169Product channels of the reactions of Rb(62P) with H2, CH4 and C2H62.92Citations (PDF)
170Analysis of Geologically Relevant Metal Porphyrins Using Trapped Ion Mobility Spectrometry–Mass Spectrometry and Theoretical Calculations
Energy &amp; Fuels, 2016, 30, 10341-10347
5.324Citations (PDF)
171PENTACARBON DIOXIDE (C<sub>5</sub>O<sub>2</sub>) FORMATION AND ITS ROLE AS A TRACER OF SOLAR SYSTEM EVOLUTION10.510Citations (PDF)
172Oxidation of the <i>para</i>-Tolyl Radical by Molecular Oxygen under Single-Collison Conditions: Formation of the <i>para</i>-Toloxy Radical4.65Citations (PDF)
173Hydrogen‐Abstraction/Acetylene‐Addition Exposed
Angewandte Chemie, 2016, 128, 15207-15211
1.57Citations (PDF)
174Hydrogen‐Abstraction/Acetylene‐Addition Exposed15.055Citations (PDF)
175On the Formation of N<sub>3</sub>H<sub>3</sub> Isomers in Irradiated Ammonia Bearing Ices: Triazene (H<sub>2</sub>NNNH) or Triimide (HNHNNH)
ChemPhysChem, 2016, 17, 2726-2735
2.021Citations (PDF)
176Reaction Mechanism and Product Branching Ratios of the CH + C<sub>3</sub>H<sub>6</sub> Reaction: A Theoretical Study
Journal of Physical Chemistry A, 2016, 120, 1800-1812
2.724Citations (PDF)
177Formation of resonantly stabilised free radicals via the reactions of atomic carbon, dicarbon, and tricarbon with unsaturated hydrocarbons: theory and crossed molecular beams experiments2.440Citations (PDF)
178Formation of 5- and 6-methyl-1H-indene (C<sub>10</sub>H<sub>10</sub>) via the reactions of the para-tolyl radical (C<sub>6</sub>H<sub>4</sub>CH<sub>3</sub>) with allene (H<sub>2</sub>CCCH<sub>2</sub>) and methylacetylene (HCCCH<sub>3</sub>) under single collision conditions2.811Citations (PDF)
179Formation of 2- and 1-methyl-1,4-dihydronaphthalene isomers via the crossed beam reactions of phenyl radicals (C<sub>6</sub>H<sub>5</sub>) with isoprene (CH<sub>2</sub>C(CH<sub>3</sub>)CHCH<sub>2</sub>) and 1,3-pentadiene (CH<sub>2</sub>CHCHCHCH<sub>3</sub>)2.810Citations (PDF)
180Reaction Dynamics in Astrochemistry: Low-Temperature Pathways to Polycyclic Aromatic Hydrocarbons in the Interstellar Medium11.6121Citations (PDF)
181Toward the Oxidation of the Phenyl Radical and Prevention of PAH Formation in Combustion Systems
Journal of Physical Chemistry A, 2015, 119, 7145-7154
2.746Citations (PDF)
182Reaction mechanism and rate constants of the CH+CH<sub>4</sub> reaction: a theoretical study
Molecular Physics, 2015, 113, 1865-1872
2.413Citations (PDF)
183Oxidation of Graphene-Edge Six- and Five-Member Rings by Molecular Oxygen
Journal of Physical Chemistry A, 2015, 119, 7528-7547
2.747Citations (PDF)
184GAS PHASE SYNTHESIS OF (ISO)QUINOLINE AND ITS ROLE IN THE FORMATION OF NUCLEOBASES IN THE INTERSTELLAR MEDIUM
Astrophysical Journal, 2015, 803, 53
4.736Citations (PDF)
185A crossed molecular beam and ab initio study on the formation of 5- and 6-methyl-1,4-dihydronaphthalene (C<sub>11</sub>H<sub>12</sub>) via the reaction of meta-tolyl (C<sub>7</sub>H<sub>7</sub>) with 1,3-butadiene (C<sub>4</sub>H<sub>6</sub>)2.87Citations (PDF)
186On the formation of ethynylbiphenyl (C14D5H5; C6D5C6H4CCH) isomers in the reaction of D5-phenyl radicals (C6D5; X2A1) with phenylacetylene (C6H5C2H; X1A1) under single collision conditions
Chemical Physics Letters, 2014, 595-596, 230-236
2.815Citations (PDF)
187Roaming dynamics in radical addition–elimination reactions14.149Citations (PDF)
188Understanding the chemical dynamics of the reactions of dicarbon with 1-butyne, 2-butyne, and 1,2-butadiene – toward the formation of resonantly stabilized free radicals2.810Citations (PDF)
189Reaction dynamics of the 4-methylphenyl radical (C<sub>6</sub>H<sub>4</sub>CH<sub>3</sub>; p-tolyl) with isoprene (C<sub>5</sub>H<sub>8</sub>) – formation of dimethyldihydronaphthalenes2.86Citations (PDF)
190Reaction Mechanism and Product Branching Ratios of the CH + C<sub>3</sub>H<sub>8</sub> Reaction: A Theoretical Study
Journal of Physical Chemistry A, 2014, 118, 9080-9086
2.712Citations (PDF)
191Directed Gas-Phase Formation of the Ethynylsulfidoboron Molecule15.75Citations (PDF)
192Crossed Beam Reactions of the Phenyl (C<sub>6</sub>H<sub>5</sub>; X<sup>2</sup>A<sub>1</sub>) and Phenyl-<i>d</i><sub>5</sub> Radical (C<sub>6</sub>D<sub>5</sub>; X<sup>2</sup>A<sub>1</sub>) with 1,2-Butadiene (H<sub>2</sub>CCCHCH<sub>3</sub>; X<sup>1</sup>A′)
Journal of Physical Chemistry A, 2014, 118, 4372-4381
2.75Citations (PDF)
193Reaction Dynamics of the 4-Methylphenyl Radical (<i>p</i>-Tolyl) with 1,2-Butadiene (1-Methylallene): Are Methyl Groups Purely Spectators?
Journal of Physical Chemistry A, 2014, 118, 6181-6190
2.77Citations (PDF)
194Dynamics of Chlorine Atom Reactions with Hydrocarbons: Insights from Imaging the Radical Product in Crossed Beams
Journal of Physical Chemistry A, 2014, 118, 9281-9295
2.728Citations (PDF)
195An experimental and theoretical investigation of the formation of C7H7 isomers in the bimolecular reaction of dicarbon molecules with 1,3-pentadiene
Chemical Physics Letters, 2014, 607, 92-99
2.88Citations (PDF)
196Gas‐Phase Synthesis of the Benzyl Radical (C<sub>6</sub>H<sub>5</sub>CH<sub>2</sub>)
Angewandte Chemie, 2014, 126, 4696-4701
1.52Citations (PDF)
197Gas‐Phase Synthesis of the Benzyl Radical (C<sub>6</sub>H<sub>5</sub>CH<sub>2</sub>)15.023Citations (PDF)
198A Combined Experimental and Theoretical Study on the Gas‐Phase Synthesis of Toluene under Single Collision Conditions15.016Citations (PDF)
199A VUV photoionization study of the multichannel reaction of phenyl radicals with 1,3-butadiene under combustion relevant conditions2.848Citations (PDF)
200A Combined Crossed Beam and Ab Initio Investigation of the Gas Phase Reaction of Dicarbon Molecules (C<sub>2</sub>; X<sup>1</sup>Σ<sub>g</sub><sup>+</sup>/a<sup>3</sup>Π<sub>u</sub>) with Propene (C<sub>3</sub>H<sub>6</sub>; X<sup>1</sup>A′): Identification of the Resonantly Stabilized Free Radicals 1- and 3-Vinylpropargyl
Journal of Physical Chemistry A, 2013, 117, 11783-11793
2.718Citations (PDF)
201H/D kinetic isotope effect in HCOOH cis–trans conversion of formic acid in noble gas matrices
Chemical Physics Letters, 2013, 574, 47-50
2.82Citations (PDF)
202Low-Temperature Mechanisms for the Formation of Substituted Azanaphthalenes through Consecutive CN and C<sub>2</sub>H Additions to Styrene and <i>N</i>-Methylenebenzenamine: A Theoretical Study15.715Citations (PDF)
203Gas-Phase Synthesis of Phenyl Oxoborane (C<sub>6</sub>H<sub>5</sub>BO) via the Reaction of Boron Monoxide with Benzene
Journal of Organic Chemistry, 2013, 78, 11896-11900
3.814Citations (PDF)
204Theoretical Investigation of the Mechanism and Product Branching Ratios of the Reactions of Cyano Radical with 1- and 2-Butyne and 1,2-Butadiene2.714Citations (PDF)
205A Crossed Beam and ab Initio Investigation on the Formation of Boronyldiacetylene (HCCCC<sup>11</sup>BO; <i>X</i><sup>1</sup>Σ<sup>+</sup>) via the Reaction of the Boron Monoxide Radical (<sup>11</sup>BO; <i>X</i><sup>2</sup>Σ<sup>+</sup>) with Diacetylene (C<sub>4</sub>H<sub>2</sub>; <i>X</i><sup>1</sup>Σ<sub>g</sub><sup>+</sup>)
Journal of Physical Chemistry A, 2013, 117, 8189-8198
2.76Citations (PDF)
206A Combined Experimental and Theoretical Study on the Gas‐Phase Synthesis of Toluene under Single Collision Conditions
Angewandte Chemie, 2013, 125, 7327-7330
1.51Citations (PDF)
207Low temperature formation of naphthalene and its role in the synthesis of PAHs (Polycyclic Aromatic Hydrocarbons) in the interstellar medium7.7208Citations (PDF)
208AN EXPERIMENTAL AND THEORETICAL STUDY OF THE IONIZATION ENERGIES OF SiC<sub>2</sub>H<i><sub>x</sub></i>(<i>x</i>= 0, 1, 2) ISOMERS
Astrophysical Journal, 2012, 761, 178
4.729Citations (PDF)
209Separation mechanism of chiral impurities, ephedrine and pseudoephedrine, found in amphetamine-type substances using achiral modifiers in the gas phase3.613Citations (PDF)
210Reaction Mechanism of Naphthyl Radicals with Molecular Oxygen. 1. Theoretical Study of the Potential Energy Surface
Journal of Physical Chemistry A, 2012, 116, 1571-1585
2.725Citations (PDF)
211On the formation of polyacetylenes and cyanopolyacetylenes in Titan's atmosphere and their role in astrobiology
Chemical Society Reviews, 2012, 41, 5490
38.241Citations (PDF)
212Synthesis of the Silaisocyanoacetylene Molecule15.711Citations (PDF)
213Investigation of reactions postulated to occur during inhibition of ribonucleotide reductases by 2′-azido-2′-deoxynucleotides
Tetrahedron, 2012, 68, 5655-5667
2.22Citations (PDF)
214Product branching ratios in photodissociation of phenyl radical: A theoretical ab initio/Rice–Ramsperger–Kassel–Marcus study
Journal of Chemical Physics, 2012, 136, 234305
3.015Citations (PDF)
215A Crossed Molecular Beams and Ab Initio Study on the Formation of C<sub>6</sub>H<sub>3</sub> Radicals. An Interface between Resonantly Stabilized and Aromatic Radicals
Journal of Physical Chemistry A, 2011, 115, 10251-10258
2.710Citations (PDF)
216Reactions of C<sub>2</sub>H with 1- and 2-Butynes: An Ab Initio/RRKM Study of the Reaction Mechanism and Product Branching Ratios
Journal of Physical Chemistry A, 2011, 115, 2196-2207
2.712Citations (PDF)
217A VUV Photoionization Study of the Formation of the Indene Molecule and Its Isomers4.677Citations (PDF)
218A CROSSED MOLECULAR BEAM, LOW-TEMPERATURE KINETICS, AND THEORETICAL INVESTIGATION OF THE REACTION OF THE CYANO RADICAL (CN) WITH 1,3-BUTADIENE (C<sub>4</sub>H<sub>6</sub>). A ROUTE TO COMPLEX NITROGEN-BEARING MOLECULES IN LOW-TEMPERATURE EXTRATERRESTRIAL ENVIRONMENTS
Astrophysical Journal, 2011, 742, 26
4.750Citations (PDF)
219An ab initio/RRKM study of the reaction mechanism and product branching ratios of the reactions of ethynyl radical with 1,2-butadiene
Chemical Physics Letters, 2011, 518, 29-37
2.85Citations (PDF)
220On the Formation of Resonantly Stabilized C<sub>5</sub>H<sub>3</sub> Radicals—A Crossed Beam and Ab Initio Study of the Reaction of Ground State Carbon Atoms with Vinylacetylene2.712Citations (PDF)
221Indene Formation under Single‐Collision Conditions from the Reaction of Phenyl Radicals with Allene and Methylacetylene—A Crossed Molecular Beam and Ab Initio Study
Chemistry - an Asian Journal, 2011, 6, 3035-3047
3.144Citations (PDF)
222ON THE FORMATION OF ORTHO-BENZYNE (o-C<sub>6</sub>H<sub>4</sub>) UNDER SINGLE COLLISION CONDITIONS AND ITS ROLE IN INTERSTELLAR CHEMISTRY
Astrophysical Journal, 2011, 728, 141
4.737Citations (PDF)
223Modeling of the ribonucleotide reductases substrate reaction. Hydrogen atom abstraction by a thiyl free radical and detection of the ribosyl-based carbon radical by pulse radiolysis0.06Citations (PDF)
224Formation of benzene in the interstellar medium7.7144Citations (PDF)
225Addition of one and two units of C2H to styrene: A theoretical study of the C10H9 and C12H9 systems and implications toward growth of polycyclic aromatic hydrocarbons at low temperatures3.017Citations (PDF)
226COSMIC-RAY-MEDIATED FORMATION OF BENZENE ON THE SURFACE OF SATURN’S MOON TITAN
Astrophysical Journal, 2010, 718, 1243-1251
4.745Citations (PDF)
227PHOTODISSOCIATION OF THE DIACETYLENE DIMER AND IMPLICATIONS FOR HYDROCARBON GROWTH IN TITAN'S ATMOSPHERE
Astrophysical Journal, 2010, 714, 1249-1255
4.710Citations (PDF)
228AN EXPERIMENTAL AND THEORETICAL STUDY ON THE IONIZATION ENERGIES OF POLYYNES (H-(C≡C)<i><sub>n</sub></i>-H;<i>n</i>= 1-9)
Astrophysical Journal, 2010, 719, 1884-1889
4.752Citations (PDF)
229Effect of the Medium on Intramolecular H-Atom Tunneling: Cis−Trans Conversion of Formic Acid in Solid Matrixes of Noble Gases
Journal of Physical Chemistry B, 2010, 114, 17102-17112
2.96Citations (PDF)
230On the ionization energies of C4H3 isomers
Chemical Physics Letters, 2010, 485, 281-285
2.819Citations (PDF)
231Spectroscopic and Thermochemical Consequences of Site-Specific H-Atom Addition to Naphthalene
Journal of Physical Chemistry A, 2010, 114, 6255-6262
2.738Citations (PDF)
232On the Directed Gas Phase Synthesis of the Imidoborane Molecule (HNBH) — An Isoelectronic Molecule of Acetylene (HCCH)
Journal of Physical Chemistry A, 2010, 114, 12148-12154
2.716Citations (PDF)
233Hydroxyl Radical Substitution in Halogenated Carbonyls: Oxalic Acid Formation
Journal of Physical Chemistry A, 2010, 114, 2806-2820
2.75Citations (PDF)
234Formation of the Phenyl Radical [C<sub>6</sub>H<sub>5</sub>(X<sup>2</sup>A<sub>1</sub>)] under Single Collision Conditions: A Crossed Molecular Beam and ab Initio Study15.741Citations (PDF)
235An ab initio/RRKM study of the reaction mechanism and product branching ratios of the reactions of ethynyl radical with allene and methylacetylene2.824Citations (PDF)
236Isomer specific spectroscopy of C10Hn, n = 8–12: Exploring pathways to naphthalene in Titan's atmosphere
Faraday Discussions, 2010, 147, 231
2.723Citations (PDF)
237Untangling the chemical evolution of Titan's atmosphere and surface–from homogeneous to heterogeneous chemistry
Faraday Discussions, 2010, 147, 429
2.7120Citations (PDF)
238Crossed Molecular Beam Study on the Formation of Phenylacetylene and Its Relevance to Titan’s Atmosphere
Journal of Physical Chemistry A, 2010, 114, 5256-5262
2.719Citations (PDF)
239Mechanisms of formation of nitrogen-containing polycyclic aromatic compounds in low-temperature environments of planetary atmospheres: A theoretical study
Faraday Discussions, 2010, 147, 479
2.733Citations (PDF)
240Matrix reorganization with intramolecular tunneling of H atom: Formic acid in Ar matrix
Journal of Chemical Physics, 2009, 130, 144502
3.014Citations (PDF)
241A crossed beams and <i>ab initio</i> investigation on the formation of cyanodiacetylene in the reaction of cyano radicals with diacetylene3.012Citations (PDF)
242Reaction dynamics of the phenyl radical with 1,2-butadiene
Chemical Physics Letters, 2009, 474, 51-56
2.811Citations (PDF)
243Reaction dynamics of the phenyl radical (C6H5) with 1-butyne (HCCC2H5) and 2-butyne (CH3CCCH3)
Chemical Physics Letters, 2009, 481, 46-53
2.86Citations (PDF)
244A Theoretical Study of the Reaction Mechanism and Product Branching Ratios of C<sub>2</sub>H + C<sub>2</sub>H<sub>4</sub> and Related Reactions on the C<sub>4</sub>H<sub>5</sub> Potential Energy Surface
Journal of Physical Chemistry A, 2009, 113, 11112-11128
2.723Citations (PDF)
245Formation of the 1,3,5-Hexatriynyl Radical (C<sub>6</sub>H(X<sup>2</sup>Π)) via the Crossed Beams Reaction of Dicarbon (C<sub>2</sub>(X<sup>1</sup>Σ<sub>g</sub><sup>+</sup>/a<sup>3</sup>Π<sub>u</sub>)), with Diacetylene (C<sub>4</sub>H<sub>2</sub>(X<sup>1</sup>Σ<sub>g</sub><sup>+</sup>))
Journal of Physical Chemistry A, 2009, 113, 1210-1217
2.719Citations (PDF)
246Crossed Molecular Beams Study on the Formation of Vinylacetylene in Titan’s Atmosphere
Journal of Physical Chemistry A, 2009, 113, 11167-11173
2.726Citations (PDF)
247An ab Initio/Rice−Ramsperger−Kassel−Marcus Study of the Reactions of Propenols with OH. Mechanism and Kinetics of H Abstraction Channels
Journal of Physical Chemistry A, 2009, 113, 10667-10677
2.720Citations (PDF)
248Chemistry of Energetically Activated Cumulenes—From Allene (H<sub>2</sub>CCCH<sub>2</sub>) to Hexapentaene (H<sub>2</sub>CCCCCCH<sub>2</sub>)
ChemPhysChem, 2008, 9, 350-369
2.043Citations (PDF)
249First detection of the Cs symmetric isomer of carbon hexaoxide (CO6) at 10K
Chemical Physics Letters, 2008, 450, 312-317
2.813Citations (PDF)
250Theoretical study of the reaction mechanism of ethynyl radical with benzene and related reactions on the C8H7 potential energy surface
Chemical Physics Letters, 2008, 459, 54-59
2.822Citations (PDF)
251On the formation of higher carbon oxides in extreme environments
Chemical Physics Letters, 2008, 465, 1-9
2.818Citations (PDF)
252Photoinduced Mechanism of Formation and Growth of Polycyclic Aromatic Hydrocarbons in Low-Temperature Environments via Successive Ethynyl Radical Additions15.787Citations (PDF)
253Theoretical study of the C6H3 potential energy surface and rate constants and product branching ratios of the C2H(Σ+2)+C4H2(Σg+1) and C4H(Σ+2)+C2H2(Σg+1) reactions3.031Citations (PDF)
254A crossed molecular beam study on the formation of hexenediynyl radicals (H2CCCCCCH; C6H3(X2A′)) via reactions of tricarbon molecules, C3(X1Σg+), with allene (H2CCCH2; X1A1) and methylacetylene (CH3CCH; X1A1)2.826Citations (PDF)
255Hydroxyl Radical Mediated Degradation of Phenylarsonic Acid
Journal of Physical Chemistry A, 2007, 111, 7819-7824
2.746Citations (PDF)
256The Reaction of Tricarbon with Acetylene:  An Ab Initio/RRKM Study of the Potential Energy Surface and Product Branching Ratios†
Journal of Physical Chemistry A, 2007, 111, 6704-6712
2.724Citations (PDF)
257First Infrared Spectroscopic Detection of the Monobridged Diboranyl Radical (B2H5,C2v) and Its D5-Isotopomer in Low-Temperature Diborane Ices
Inorganic Chemistry, 2007, 46, 5739-5743
4.68Citations (PDF)
258A crossed molecular beams study of the reaction of dicarbon molecules with benzene
Chemical Physics Letters, 2007, 436, 7-14
2.830Citations (PDF)
259Novel detection of the C2v isomer of carbon tetraoxide (CO4)
Chemical Physics Letters, 2007, 440, 105-109
2.822Citations (PDF)
260First detection of the C2 symmetric isomer of carbon pentaoxide (CO5) at 10K
Chemical Physics Letters, 2007, 443, 49-54
2.818Citations (PDF)
261Unimolecular decomposition of chemically activated singlet and triplet D3-methyldiacetylene molecules
Chemical Physics Letters, 2007, 444, 220-225
2.84Citations (PDF)
262Theoretical investigations of spectroscopy and excited state dynamics of adenine
Chemical Physics Letters, 2007, 445, 361-369
2.816Citations (PDF)
263A crossed beam investigation of the reactions of tricarbon molecules, <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si6.gif" display="inline" overflow="scroll"><mml:mrow><mml:msub><mml:mrow><mml:mtext>C</mml:mtext></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:msup><mml:mrow><mml:mtext>X</mml:mtext></mml:mrow><mml:mrow><mml:mn>1</mml:mn></mml:mrow></mml:msup><mml:msubsup><mml:mrow><mml:mi mathvariant="normal">Σ</mml:mi></mml:mrow><mml:
Chemical Physics Letters, 2007, 449, 44-52
2.838Citations (PDF)
264A crossed molecular beams study on the formation and energetics of the resonantly stabilized free i-C4H3(X2A′) radical and its isotopomers
Chemical Physics, 2007, 335, 95-108
2.212Citations (PDF)
265Reaction dynamics of carbon-bearing radicals in circumstellar envelopes of carbon stars
Faraday Discussions, 2006, 133, 245
2.7106Citations (PDF)
266Unimolecular Decomposition of Chemically Activated Pentatetraene (H2CCCCCH2) Intermediates:  A Crossed Beams Study of Dicarbon Molecule Reactions with Allene
Journal of Physical Chemistry A, 2006, 110, 10699-10707
2.719Citations (PDF)
267Chemical Dynamics of the Formation of the 1,3-Butadiynyl Radical (C4H(X2Σ+)) and Its Isotopomers
Journal of Physical Chemistry A, 2006, 110, 11265-11278
2.733Citations (PDF)
268Investigating the Formation of Intermediates in the Reactions of Carbon Dioxide (CO2) with Suprathermal Oxygen and Nitrogen Atoms0.11Citations (PDF)
269Absorption Cross Sections of NH3, NH2D, NHD2, and ND3in the Spectral Range 140–220 nm and Implications for Planetary Isotopic Fractionation
Astrophysical Journal, 2006, 647, 1535-1542
4.766Citations (PDF)
270Understanding the Kinetics and Dynamics of Radiation‐induced Reaction Pathways in Carbon Monoxide Ice at 10 K7.3127Citations (PDF)
271Identification of the D3h Isomer of Carbon Trioxide (CO3) and Its Implications for Atmospheric Chemistry
ChemPhysChem, 2006, 7, 2508-2513
2.038Citations (PDF)
272A Computational Study of End‐Group Conformational Energy Barriers in Carotenoids
FASEB Journal, 2006, 20,
0.70Citations (PDF)
273Investigating the Mechanism for the Formation of Nitrous Oxide [N2O(X1Σ+)] in Extraterrestrial Ices
Astrophysical Journal, 2005, 624, 436-447
4.749Citations (PDF)
274An improved potential energy surface for the F+H2 reaction
Chemical Physics, 2005, 308, 259-266
2.240Citations (PDF)
275Potential energy surface and product branching ratios for the reaction of F(2P) with the methyl radical: An ab initio/RRKM study
Chemical Physics Letters, 2005, 406, 60-74
2.89Citations (PDF)
276A matrix isolation study of the Cs symmetric OCNO(X 2A″) radical2.821Citations (PDF)
277The Reaction of Phenyl Radical with Molecular Oxygen:  A G2M Study of the Potential Energy Surface
Journal of Physical Chemistry A, 2005, 109, 6114-6127
2.7123Citations (PDF)
278The C2H3 + O2 Reaction Revisited:  Is Multireference Treatment of the Wave Function Really Critical?
Journal of Physical Chemistry A, 2005, 109, 6993-6997
2.717Citations (PDF)
279Photodissociation dynamics of pyridine
Journal of Chemical Physics, 2005, 123, 054309
3.041Citations (PDF)
280Theoretical study of the reaction mechanism of nitrogen hydrogenation on transition metal oxides (TiO, VO, and CuO)
Chemical Physics, 2004, 304, 301-313
2.22Citations (PDF)
281Reaction mechanism of hydrogenation of carbon dioxide to formic acid in the presence of scandium oxide: a density functional study
Chemical Physics Letters, 2004, 396, 75-82
2.85Citations (PDF)
282Ab Initio/RRKM Study of the O(1D) + NH3 Reaction:  Prediction of Product Branching Ratios
Journal of Physical Chemistry A, 2004, 108, 11644-11650
2.718Citations (PDF)
283Theoretical Study of the Reaction Mechanism of BO, B2O2, and BS with H22.726Citations (PDF)
284Theoretical Study of TiO-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid
Journal of Physical Chemistry A, 2004, 108, 10245-10251
2.78Citations (PDF)
285Photoisomerization and Photodissociation of Aniline and 4-Methylpyridine15.738Citations (PDF)
286Untangling the formation of the cyclic carbon trioxide isomer in low temperature carbon dioxide ices2.8159Citations (PDF)
287An ab Initio/RRKM Study of Product Branching Ratios in the Photodissociation of Buta-1,2- and -1,3-dienes and But-2-yne at 193 nm3.546Citations (PDF)
288A crossed beam and ab initio study of the C2(X1Σg+ /a3∏u)+C2H2(X1Σg+) reactions
Chemical Physics Letters, 2003, 382, 112-119
2.856Citations (PDF)
289The Curl–Divergence equations for the electronic non-adiabatic coupling terms: study of the C2H molecule and the H2+H system
Chemical Physics Letters, 2003, 367, 177-185
2.85Citations (PDF)
290Absorption cross-section of the C2H molecule: proper treatment of the conical intersection
Chemical Physics Letters, 2003, 372, 1-7
2.814Citations (PDF)
291Reaction mechanism of nitrogen hydrogenation in the presence of scandium oxide: a density functional study
Chemical Physics Letters, 2003, 375, 17-25
2.88Citations (PDF)
292Theoretical study of the reaction mechanism of boron atom with carbon dioxide
Chemical Physics Letters, 2003, 375, 670-675
2.87Citations (PDF)
293A theoretical study of isomerism in doped aluminum MAl12 and MAl12X12 clusters with 40 and 50 valence electronsElectronic supplementary information (ESI) available: Selected geometric parameters of clusters. See http://www.rsc.org/suppdata/fd/b2/b211114d/
Faraday Discussions, 2003, 124, 215
2.727Citations (PDF)
294Ab Initio/RRKM Study of the Potential Energy Surface of Triplet Ethylene and Product Branching Ratios of the C(3P) + CH4 Reaction
Journal of Physical Chemistry A, 2003, 107, 1788-1796
2.735Citations (PDF)
295A Combined Quantum Chemistry and RRKM Calculation Predicts the O(1D) + C2H6 Reaction Can Produce Water Molecule in a Collision-Free Crossed Molecular Beam Environment
Journal of Physical Chemistry A, 2003, 107, 6986-6994
2.77Citations (PDF)
296Photodissociation Dynamics of Fluorobenzene15.728Citations (PDF)
297Reaction Mechanism of N2/H2 Conversion to NH3:  A Theoretical Study
Journal of Physical Chemistry A, 2003, 107, 2865-2874
2.772Citations (PDF)
298Azido-Nitrene Is Probably the N4 Molecule Observed in Mass Spectrometric Experiments
Journal of Physical Chemistry A, 2003, 107, 5452-5460
2.729Citations (PDF)
299Reaction Mechanism of the Synthesis of Ammonia in the N2/H2/BeO and N2/H2/FeO Systems:  A Theoretical Study
Journal of Physical Chemistry A, 2003, 107, 5092-5100
2.78Citations (PDF)
300Influence of distortion and Duschinsky effects on Marcus-type theories of electron transfer rate2.818Citations (PDF)
301A survey ofab initioconical intersections for the H+H2 system
Journal of Chemical Physics, 2003, 118, 3052-3064
3.046Citations (PDF)
302Experimental and theoretical investigations of the O([sup 1]D) reaction with cyclopropane3.09Citations (PDF)
303Ab initio study of the reaction mechanism of CO2 with Ti atom in the ground and excited electronic states
Journal of Chemical Physics, 2002, 116, 5633-5642
3.022Citations (PDF)
304Prediction of absolute rate coefficients and product branching ratios for the C(3P)+allene reaction system
Journal of Chemical Physics, 2002, 117, 7055-7067
3.08Citations (PDF)
305A globally smooth ab initio potential surface of the 1 A′ state for the reaction S(1D)+H2
Journal of Chemical Physics, 2002, 116, 4124-4134
3.084Citations (PDF)
306The reactivity of ground-state carbon atoms with unsaturated hydrocarbons in combustion flames and in the interstellar medium2.482Citations (PDF)
307Necessary Conditions for a Rigorous Minimal Diabatic Potential Matrix
Journal of Physical Chemistry A, 2002, 106, 6499-6507
2.78Citations (PDF)
308Ab Initio Study of the Reaction Mechanisms of NiO and NiS with H22.715Citations (PDF)
309Activation of Methane by Neutral Transition Metal Oxides (ScO, NiO, and PdO):  A Theoretical Study
Journal of Physical Chemistry A, 2002, 106, 12072-12083
2.739Citations (PDF)
310Theoretical Study of Complexes of Closo-Borane, Alane, and Gallane Anions with Cations of Light Metals Inside and Outside of Icosahedral Clusters [A12H122-] (A = B, Al, and Ga)
Journal of Physical Chemistry A, 2002, 106, 11594-11602
2.722Citations (PDF)
311Curl equations as substratum for the derivation of the electronic nonadiabatic coupling terms2.113Citations (PDF)
312Conical intersection revisited: extension to an elliptic form
Chemical Physics Letters, 2002, 354, 243-250
2.825Citations (PDF)
313Theoretical study on the reaction mechanism of Sc atoms with carbon dioxide
Chemical Physics Letters, 2002, 357, 51-58
2.826Citations (PDF)
314Ab initio non-adiabatic coupling elements: the conical intersection between the 22A′ and the 32A′ of the H+H2 system
Chemical Physics Letters, 2002, 358, 163-169
2.829Citations (PDF)
315Ab initio study of excited electronic states and vibronic spectra of phenyl radical
Chemical Physics Letters, 2002, 361, 421-431
2.823Citations (PDF)
316Theoretical study of the reaction mechanism of platinum oxide with methane
Chemical Physics Letters, 2002, 365, 140-147
2.819Citations (PDF)
317DISSOCIATION, ISOMERIZATION, AND ISOTOPE SCRAMBLING OF BENZENE: A THEORETICAL VIEW
2002, , 340-358
5Citations (PDF)
318The role of the ground and excited potential energy surfaces in the O(1D and 3P)+SiH4 reactions: A theoretical study
Journal of Chemical Physics, 2001, 114, 10816-10834
3.012Citations (PDF)
319Product Branching Ratios of the C(3P) + C2H3(2A‘) and CH(2Π) + C2H2(1Σg+) Reactions and Photodissociation of H2CC⋮CH(2B1) at 193 and 242 nm:  an ab Initio/RRKM Study
Journal of Physical Chemistry A, 2001, 105, 11549-11559
2.749Citations (PDF)
320Conversion of CO to Formaldehyde Catalyzed by BeO:  A Theoretical Study
Journal of Physical Chemistry A, 2001, 105, 10433-10438
2.77Citations (PDF)
321A Combined Crossed Molecular Beam and ab Initio Study of the Reactions C2(X1∑g+, a3Πu) + C2H4→n-C4H3(X2A‘) + H(2S1/2)
Journal of Physical Chemistry A, 2001, 105, 9813-9818
2.757Citations (PDF)
322Ab Initio MO Study of the Triplet C3H4 Potential Energy Surface and the Reaction of C(3Pj) with Ethylene, C2H4
Journal of Physical Chemistry A, 2001, 105, 1847-1856
2.742Citations (PDF)
323A Theoretical Investigation of the Triplet Carbon Atom C(3P) + Vinyl Radical C2H3(2A‘) Reaction and Thermochemistry of C3Hn(n= 1−4) Species
Journal of Physical Chemistry A, 2001, 105, 3284-3299
2.757Citations (PDF)
324Theoretical Study of the Reaction Mechanism of Fe Atoms with H2O, H2S, O2 and H+
Journal of Physical Chemistry A, 2001, 105, 7460-7467
2.732Citations (PDF)
325Thermochemistry of cyclopentadienylidene (c-C5H4,C2v,3B1), cyclopentadienyl radical (c-C5H5?,C2v,2B1) and 1,3-cyclopentadiene (c-C5H6,C2v,1A1): a theoretical study by the G2M(RCC,MP2) method1.516Citations (PDF)
326Ab initio study of C4H3 potential energy surface and reaction of ground-state carbon atom with propargyl radical4.927Citations (PDF)
327Ab initio study of nonadiabatic coupling matrix elements between excited 22A′ and 32A′ electronic states of C2H
Chemical Physics Letters, 2001, 336, 135-142
2.815Citations (PDF)
328Theoretical study of the reaction mechanism of ScO with molecular hydrogen
Chemical Physics Letters, 2001, 341, 393-399
2.815Citations (PDF)
329Theoretical study of the reaction of beryllium oxide with methane
Chemical Physics Letters, 2001, 348, 303-310
2.825Citations (PDF)
330A theoretical re-evaluation of the heat of formation of phenylcarbene
Chemical Physics Letters, 2001, 349, 571-577
2.815Citations (PDF)
331O(1D) reaction with cyclopropane: Evidence of O atom insertion into the C–C bond3.013Citations (PDF)
332Reaction dynamics of S([sup 1]D)+H[sub 2]/D[sub 2] on a new ab initio potential surface3.058Citations (PDF)
333Theoretical study on the reversible storage of H2 by BeO
Chemical Physics Letters, 2000, 321, 95-100
2.815Citations (PDF)
334Theoretical study on reforming of CO2 catalyzed with Be
Chemical Physics Letters, 2000, 325, 639-644
2.89Citations (PDF)
335Reaction mechanism of CO2 with Ca atom: A theoretical study
Chemical Physics Letters, 2000, 331, 526-532
2.89Citations (PDF)
336Ab initio study of spin-forbidden unimolecular decomposition of carbon dioxide
Chemical Physics, 2000, 256, 169-176
2.242Citations (PDF)
337Ab initio study of the reaction mechanism of singlet and triplet N2O and their intersystem crossing
Chemical Physics, 2000, 259, 89-97
2.222Citations (PDF)
338Heats of formation of small bicyclic hydrocarbons, spiropentadiene (C5H4), spiropentane (C5H8) and bicyclo[1.1.0]but-1(3)-ene (C4H4): a theoretical study by the G2M(RCC,MP2) method
Chemical Physics Letters, 2000, 326, 468-476
2.89Citations (PDF)
339Probing the nature of surface intersection by ab initio calculations of the nonadiabatic coupling matrix elements: A conical intersection due to bending motion in C2H
Journal of Chemical Physics, 2000, 112, 10703-10706
3.037Citations (PDF)
340Theoretical Study on the Reaction Mechanism of Nickel Atoms with Carbon Dioxide
Journal of Physical Chemistry A, 2000, 104, 11622-11627
2.728Citations (PDF)
341Theoretical Study of the Reversible Storage of H2by BeS15.712Citations (PDF)
342Theoretical Study on the Reaction Mechanism of CO2with Mg
Journal of Physical Chemistry A, 2000, 104, 7646-7650
2.721Citations (PDF)
343Ab initio study of the addition of atomic carbon with water
Chemical Physics, 1999, 244, 143-149
2.218Citations (PDF)
344The Fragmentation of Melamine:  A Study via Electron-Impact Ionization, Laser-Desorption Ionization, Collision-Induced Dissociation, and Density Functional Calculations of Potential Energy Surface2.925Citations (PDF)
345Structure and Nonrigidity of B9H92-and B9H10-. Comparisons of BnHn2-and BnHn+1-Systems
Inorganic Chemistry, 1998, 37, 1693-1703
4.618Citations (PDF)
346The Largecloso-Borane Dianions, BnHn2-(n= 13−17) Are Aromatic, Why Are They Unknown?†
Inorganic Chemistry, 1998, 37, 6765-6772
4.6153Citations (PDF)
347Ab initio study on the reaction mechanism of ozone with the chlorine atom
Journal of Chemical Physics, 1998, 109, 10847-10852
3.032Citations (PDF)
348Theoretical Study of the Structure, Energetics, and the n−π* Electronic Transition of the Acetone +nH2O (n= 1−3) Complexes
Journal of Physical Chemistry A, 1997, 101, 9925-9934
2.737Citations (PDF)
349IR spectroscopy and theoretical vibrational calculation of the melamine molecule1.784Citations (PDF)
350Theoretical study of vibronic spectra and photodissociation pathways of methane
Journal of Chemical Physics, 1997, 106, 2612-2620
3.051Citations (PDF)
351Excited electronic states of the methyl radical. Ab initio molecular orbital study of geometries, excitation energies and vibronic spectra
Chemical Physics, 1997, 215, 329-341
2.242Citations (PDF)
352Can chlorine anion catalyze the reaction of HOCl with HCl?
Chemical Physics Letters, 1997, 270, 395-398
2.89Citations (PDF)
353Ab initio molecular orbital study of excited electronic states of the vinyl radical
Chemical Physics Letters, 1997, 275, 19-27
2.845Citations (PDF)
354On the theoretical investigation of vibronic spectra of ethylene by ab initio calculations of the Franck–Condon factors
Journal of Chemical Physics, 1996, 105, 9007-9020
3.068Citations (PDF)
355Ab Initio Study of the Mechanism for the Thermal Decomposition of the Phenoxy Radical
The Journal of Physical Chemistry, 1996, 100, 9314-9322
3.3107Citations (PDF)
356Theoretical Study of the Reaction of HCl with ClONO2 Catalyzed by NO3-. “Attachment−Detachment” Mechanism for the Anion-Catalyzed Neutral Reactions
The Journal of Physical Chemistry, 1996, 100, 2985-2992
3.318Citations (PDF)
357π-π∗ vibronic spectrum of ethylene from ab initio calculations of the Franck-Condon factors
Chemical Physics Letters, 1996, 258, 53-62
2.860Citations (PDF)
358Ab initio molecular orbital study of potential energy surface for the reaction of C2H3 with H2 and related reactions
Journal of Chemical Physics, 1995, 103, 3440-3449
3.049Citations (PDF)
359A Theoretical Study of Rectangular Tetrasulfur in a Gas Phase and in the Tetranuclear [{Rh2(.eta.5-C5Me5)2(.mu.-CH2)2}2(.mu.-S4)]2+ Complex
Inorganic Chemistry, 1995, 34, 1208-1211
4.613Citations (PDF)
360Propargylene15.754Citations (PDF)
361Ab Initio MO Study of Cluster Rearrangements in Pentagonal Pyramidal Clusters: B6H10 Borane and [(IrB5H8)(CO)(PH3)2] Metallaborane15.710Citations (PDF)
362An ab initio molecular orbital study of the mechanism of the rhodium(I)-catalyzed olefin hydroboration reaction15.798Citations (PDF)
363Ab initio molecular orbital study of structure and NMR 11B chemical shifts of Lewis base adducts of CO, NH3, PF3, and PH3 with small nido-boranes, B3H7 and B4H8
Chemical Physics Letters, 1993, 214, 69-76
2.89Citations (PDF)
364An alternative mechanism of BH2SH formation in the reaction of B2H6 with SH2: concerted elimination of BH3 and H2 from H2S ·B2H6. Ab initio MO study
Chemical Physics Letters, 1993, 216, 313-318
2.82Citations (PDF)
365Metallaboranes with Group 8 and 9 Transition Metals. Is Accurateab initioMolecular Orbital Calculation of Structure, Stability, and NMR Chemical Shifts Possible?3.911Citations (PDF)
366Interstellar Formation of Nitrogen Heteroaromatics [Indole, C<sub>8</sub>H<sub>7</sub>N; Pyrrole, C<sub>4</sub>H<sub>5</sub>N; Aniline, C<sub>6</sub>H<sub>5</sub>NH<sub>2</sub>]: Key Precursors to Amino Acids and Nucleobases15.70Citations (PDF)