2.8K(top 0.1%)
papers
148.5K(top 0.1%)
citations
170(top 0.1%)
h-index
277(top 0.1%)
g-index
3.0K
all documents
154.5K
doc citations
4.3K
citing journals

Top Articles

#TitleJournalYearCitations
1Expanded sequence dependence of thermodynamic parameters improves prediction of RNA secondary structureJournal of Molecular Biology19993,486
2A new energy decomposition scheme for molecular interactions within the Hartree-Fock approximationInternational Journal of Quantum Chemistry19761,925
3Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2OJournal of Chemical Physics19711,731
4TRANSITIONPATHSAMPLING: Throwing Ropes Over Rough Mountain Passes, in the DarkAnnual Review of Physical Chemistry20021,704
5Beyond fossil fuel–driven nitrogen transformationsScience20181,379
6Colorimetric detection of DNA sequences based on electrostatic interactions with unmodified gold nanoparticlesProceedings of the National Academy of Sciences of the United States of America20041,244
7Catalysts made of earth-abundant elements (Co, Ni, Fe) for water splitting: Recent progress and future challengesEnergy and Environmental Science20121,201
8Thermodynamic Parameters for an Expanded Nearest-Neighbor Model for Formation of RNA Duplexes with Watson−Crick Base Pairs†Biochemistry19981,055
9Improved predictions of secondary structures for RNA.Proceedings of the National Academy of Sciences of the United States of America1989839
10MULTIDIMENSIONALFEMTOSECONDCORRELATIONSPECTROSCOPIES OFELECTRONIC ANDVIBRATIONALEXCITATIONSAnnual Review of Physical Chemistry2000796
11The intrinsic reaction coordinate. An ab initio calculation for HNC→HCN and H−+CH4→CH4+H−Journal of Chemical Physics1977785
12Methods and Mechanisms for Cross-Electrophile Coupling of Csp2 Halides with Alkyl ElectrophilesAccounts of Chemical Research2015782
13Robust Photogeneration of H 2 in Water Using Semiconductor Nanocrystals and a Nickel CatalystScience2012716
14The structure of water dimer from molecular beam electric resonance spectroscopyJournal of Chemical Physics1977706
15Label-Free Colorimetric Detection of Specific Sequences in Genomic DNA Amplified by the Polymerase Chain ReactionJournal of the American Chemical Society2004635
16RNA Structure PredictionAnnual Review of Biophysics and Biophysical Chemistry1988627
17Tuning the Excited-State Properties of Platinum(II) Diimine Dithiolate ComplexesJournal of the American Chemical Society1996619
18The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter SystemsJournal of Chemical Theory and Computation2013588
19Making Hydrogen from Water Using a Homogeneous System Without Noble MetalsJournal of the American Chemical Society2009583
20Non-blinking semiconductor nanocrystalsNature2009570
21Two‐dimensional femtosecond vibrational spectroscopy of liquidsJournal of Chemical Physics1993559
22Mechanism and Selectivity in Nickel-Catalyzed Cross-Electrophile Coupling of Aryl Halides with Alkyl HalidesJournal of the American Chemical Society2013521
23Density Matrix Analysis and Simulation of Electronic Excitations in Conjugated and Aggregated MoleculesChemical Reviews2002519
24Decoherence-induced surface hoppingJournal of Chemical Physics2012491
25N 2 Reduction and Hydrogenation to Ammonia by a Molecular Iron-Potassium ComplexScience2011482
26Cross-Electrophile Coupling: Principles of Reactivity and SelectivityJournal of Organic Chemistry2014475
27Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherence Effects, Multiexcitonic States, and Field-Matter InteractionJournal of Chemical Theory and Computation2014472
28Electron–phonon interaction in efficient perovskite blue emittersNature Materials2018472
29Coaxial stacking of helixes enhances binding of oligoribonucleotides and improves predictions of RNA folding.Proceedings of the National Academy of Sciences of the United States of America1994469
30Isotope Effects in C−H Bond Activation Reactions by Transition MetalsAccounts of Chemical Research2003465
31Theoretical Insights into Photoinduced Charge Transfer and Catalysis at Oxide InterfacesChemical Reviews2013455
32The Nazarov cyclization in organic synthesis. Recent advancesTetrahedron2005452
33Factors Contributing to Aromatic Stacking in Water:  Evaluation in the Context of DNAJournal of the American Chemical Society2000446
34An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C−H Activation with [Cp*MCl2]2 (M = Rh, Ir)Journal of the American Chemical Society2008442
35A Homogeneous System for the Photogeneration of Hydrogen from Water Based on a Platinum(II) Terpyridyl Acetylide Chromophore and a Molecular Cobalt CatalystJournal of the American Chemical Society2008433
36A Molecular Iron Catalyst for the Acceptorless Dehydrogenation and Hydrogenation of N-HeterocyclesJournal of the American Chemical Society2014429
37Covalency in f-element complexesCoordination Chemistry Reviews2013415
38Platinum Diimine Bis(acetylide) Complexes:  Synthesis, Characterization, and Luminescence PropertiesInorganic Chemistry2000400
39Femtosecond Electron-Transfer Dynamics at a Sensitizing Dye−Semiconductor (TiO2) InterfaceThe Journal of Physical Chemistry1996399
40Platinum diimine complexes: towards a molecular photochemical deviceCoordination Chemistry Reviews2000392
41Toward a Molecular Photochemical Device:  A Triad for Photoinduced Charge Separation Based on a Platinum Diimine Bis(acetylide) ChromophoreInorganic Chemistry2001391
42Simultaneous Fluorescence and Raman Scattering from Single Carbon NanotubesScience2003391
43Vapochromism and Its Structural Basis in a Luminescent Pt(II) Terpyridine−Nicotinamide ComplexJournal of the American Chemical Society2004386
44Nickel-Catalyzed Reductive Cross-Coupling of Aryl Halides with Alkyl HalidesJournal of the American Chemical Society2010384
45Rolling Circle DNA Synthesis:  Small Circular Oligonucleotides as Efficient Templates for DNA PolymerasesJournal of the American Chemical Society1996382
46A Cobalt–Dithiolene Complex for the Photocatalytic and Electrocatalytic Reduction of ProtonsJournal of the American Chemical Society2011364
47Visible Light-Driven Hydrogen Production from Aqueous Protons Catalyzed by Molecular Cobaloxime CatalystsInorganic Chemistry2009347
48Molecular systems for light driven hydrogen productionDalton Transactions2012346
49Recent developments in the homogeneous reduction of dinitrogen by molybdenum and ironNature Chemistry2013345
50Decarboxylative Cross-Electrophile Coupling of N-Hydroxyphthalimide Esters with Aryl IodidesJournal of the American Chemical Society2016345