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288 peer-reviewed articles • 17,334 peer-reviewed citations • Sorted by year • Download PDF (PDF by citations)
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1A Cartesian encoding graph neural network for crystal structure property prediction: application to thermal ellipsoid estimation
Digital Discovery, 2025, 4, 694-710
4.58Citations (PDF)
2Determining the zero-field cooling/field cooling blocking temperature from AC susceptibility data for single-molecule magnets
Inorganic Chemistry Frontiers, 2025, 12, 2856-2871
6.36Citations (PDF)
3Benchmarking Molecular and Periodic Extended Tight Binding Methods for Spin-State Energies in Spin-Crossover Systems
Journal of Physical Chemistry C, 2025, 129, 4242-4249
3.13Citations (PDF)
4Exploring hyperfine coupling in molecular qubits
Chemical Science, 2025, 16, 11291-11303
7.13Citations (PDF)
5Mechanochemical Alloying of Molecular Dopants in Expanded Analogs of Halide Perovskites
Inorganic Chemistry, 2025, 64, 17279-17287
4.62Citations (PDF)
6Increasing the Magnetic Blocking Temperature of Single‐Molecule Magnets14.4101Citations (PDF)
7Increasing the Magnetic Blocking Temperature of Single‐Molecule Magnets
Angewandte Chemie, 2024, 136,
1.415Citations (PDF)
8Rationalizing the carborane versus phenyl-driven luminescence in related dicarboxylic ligands and their antenna effect for their Eu3+ and Tb3+ metal–organic frameworks: a combined experimental and computational study5.18Citations (PDF)
9Accurate state energetics in spin-crossover systems using pure density functional theory
Dalton Transactions, 2024, 53, 11895-11902
3.09Citations (PDF)
10Thermal Jahn–Teller Distortion Changes and Slow Relaxation of Magnetization in Mn(III) Schiff Base Complexes
Inorganic Chemistry, 2024, 63, 12858-12869
4.611Citations (PDF)
11Benchmarking Periodic Density Functional Theory Calculations for Spin-State Energies in Spin-Crossover Systems
Inorganic Chemistry, 2024, 63, 13338-13345
4.68Citations (PDF)
12Ionic 2D Materials
ECS Meeting Abstracts, 2024, MA2024-01, 989-989
0.00Citations (PDF)
13Experimental and theoretical studies of the electronic transport of an extended curcuminoid in graphene nano-junctions
Chemical Science, 2024, 15, 16347-16354
7.10Citations (PDF)
14Phase-dependent polymerization isomerism in the coordination complexes of a flexible bis(β-diketonato) ligand
Dalton Transactions, 2024, 53, 18762-18781
3.01Citations (PDF)
15Engineering Mononuclear Ln(III) Complexes with a Pseudo-Macrocyclic Hexadentate N4O2 Schiff Base Ligand Exhibiting Slow Magnetic Relaxation
Magnetochemistry, 2024, 10, 104
2.21Citations (PDF)
16Elucidating the exchange interactions in a {GdIIICuII4} propellor
Dalton Transactions, 2023, 52, 3203-3209
3.03Citations (PDF)
17Fe–Gd Ferromagnetic Cyclic Coordination Cluster [FeIII4GdIII4(teaH)8(N3)8(H2O)] with Magnetic Anisotropy─Theory and Experiment
Inorganic Chemistry, 2023, 62, 6642-6648
4.68Citations (PDF)
18Lead-sulfur interaction induced damp and water stability in pure formamidinium lead triiodide4.910Citations (PDF)
19Improving spin crossover characteristics in heteroleptic [FeIII(qsal-5-I)(qsal-5-OMe)]A complexes
Dalton Transactions, 2023, 52, 18148-18157
3.08Citations (PDF)
20Water-Stable Carborane-Based Eu3+/Tb3+ Metal–Organic Frameworks for Tunable Time-Dependent Emission Color and Their Application in Anticounterfeiting Bar-Coding
Chemistry of Materials, 2022, 34, 4795-4808
6.758Citations (PDF)
21Dinuclear Fluoride Single-Bridged Lanthanoid Complexes as Molecule Magnets: Unprecedented Coupling Constant in a Fluoride-Bridged Gadolinium Compound
Inorganic Chemistry, 2022, 61, 9946-9959
4.617Citations (PDF)
22Insights into the Spin Dynamics of Mononuclear Cerium(III) Single-Molecule Magnets
Inorganic Chemistry, 2022, 61, 11124-11136
4.625Citations (PDF)
23Redox-Programmable Spin-Crossover Behaviors in a Cationic Framework15.048Citations (PDF)
24Structural and theoretical insights into solvent effects in an iron(iii) SCO complex
Inorganic Chemistry Frontiers, 2022, 9, 5317-5326
6.327Citations (PDF)
25Magnetic anisotropy in YbIII complex candidates for molecular qubits: a theoretical analysis2.711Citations (PDF)
26Slow magnetic relaxation in dinuclear dysprosium and holmium phenoxide bridged complexes: a Dy2single molecule magnet with a high energy barrier
Inorganic Chemistry Frontiers, 2021, 8, 2532-2541
6.326Citations (PDF)
27Experimental and Computational Studies on Quadruply Bonded Dimolybdenum Complexes with Terminal and Bridging Hydride Ligands
Chemistry - A European Journal, 2021, 27, 6569-6578
3.48Citations (PDF)
28Spin‐Phonon Coupling and Slow‐Magnetic Relaxation in Pristine Ferrocenium
Chemistry - A European Journal, 2021, 27, 16440-16447
3.415Citations (PDF)
29Nickel(II) salicylaldiminates: Re-visiting a classic
Polyhedron, 2021, 205, 115321
2.43Citations (PDF)
30Room temperature conductance switching in a molecular iron(iii) spin crossover junction
Chemical Science, 2021, 12, 2381-2388
7.145Citations (PDF)
31Tuning the architectures and luminescence properties of Cu(i) compounds of phenyl and carboranyl pyrazoles: the impact of 2D versus 3D aromatic moieties in the ligand backbone5.124Citations (PDF)
32Metal–Organic Nanocapsules with Functionalized s-Heptazine Ligands
Inorganic Chemistry, 2021, 60, 570-573
4.60Citations (PDF)
33Room‐Temperature Spin‐Dependent Transport in Metalloporphyrin‐Based Supramolecular Wires
Angewandte Chemie, 2021, 133, 26162-26169
1.47Citations (PDF)
34Room‐Temperature Spin‐Dependent Transport in Metalloporphyrin‐Based Supramolecular Wires14.414Citations (PDF)
35Single-Molecule Transport of Fullerene-Based Curcuminoids
Journal of Physical Chemistry C, 2020, 124, 2698-2704
3.18Citations (PDF)
36Tuning Single‐Molecule Conductance in Metalloporphyrin‐Based Wires via Supramolecular Interactions
Angewandte Chemie, 2020, 132, 19355-19363
1.48Citations (PDF)
37Tuning Single‐Molecule Conductance in Metalloporphyrin‐Based Wires via Supramolecular Interactions14.424Citations (PDF)
38[Co/Fe(α-Alkyl-tpdt)2]x−: Alkyl-Substituted Cobalt and Iron Bis-dithiolenethiophenic Complexes
Inorganic Chemistry, 2020, 59, 9261-9269
4.61Citations (PDF)
39Dysprosium-based complexes with a flat pentadentate donor: a magnetic and ab initio study
Dalton Transactions, 2020, 49, 8389-8401
3.011Citations (PDF)
40Self‐Assembled, Highly Positively Charged, Allyl–Pd Crowns: Cavity‐Pocket‐Driven Interactions of Fluoroanions
Chemistry - A European Journal, 2020, 26, 7847-7860
3.46Citations (PDF)
41Assessment of the SCAN Functional for Spin-State Energies in Spin-Crossover Systems
Journal of Physical Chemistry A, 2020, 124, 5053-5058
2.526Citations (PDF)
42[UF6]2−: A Molecular Hexafluorido Actinide(IV) Complex with Compensating Spin and Orbital Magnetic Moments14.413Citations (PDF)
43[UF6]2−: A Molecular Hexafluorido Actinide(IV) Complex with Compensating Spin and Orbital Magnetic Moments
Angewandte Chemie, 2019, 131, 15797-15801
1.40Citations (PDF)
44Rücktitelbild: [UF6]2−: A Molecular Hexafluorido Actinide(IV) Complex with Compensating Spin and Orbital Magnetic Moments (Angew. Chem. 44/2019)
Angewandte Chemie, 2019, 131, 16084-16084
1.40Citations (PDF)
45Dinuclear CoIIYIIIvs.tetranuclear CoII2YIII2 complexes: the effect of increasing molecular size on magnetic anisotropy and relaxation dynamics
Dalton Transactions, 2019, 48, 14873-14884
3.07Citations (PDF)
46Magnetization Slow Dynamics in Ferrocenium Complexes
Chemistry - A European Journal, 2019, 25, 10625-10632
3.428Citations (PDF)
47Slow-spin relaxation of a low-spin S = 1/2 FeIII carborane complex
Chemical Communications, 2019, 55, 3825-3828
3.428Citations (PDF)
48Single-ion magnetic anisotropy in a vacant octahedral Co(ii) complex
Dalton Transactions, 2019, 48, 25-29
3.024Citations (PDF)
49Control over Near-Ballistic Electron Transport through Formation of Parallel Pathways in a Single-Molecule Wire15.051Citations (PDF)
50A Pseudo‐Octahedral Cobalt(II) Complex with Bispyrazolylpyridine Ligands Acting as a Zero‐Field Single‐Molecule Magnet with Easy Axis Anisotropy
Chemistry - A European Journal, 2018, 24, 8857-8868
3.476Citations (PDF)
51Electronic and Steric Control of the Spin-Crossover Behavior in [(CpR)2Mn] Manganocenes
Inorganic Chemistry, 2018, 57, 702-709
4.621Citations (PDF)
52Antiferromagnetic Interactions in Copper(II) µ‐Oxalato Dinuclear Complexes: The Role of the Counterion1.822Citations (PDF)
53Structure, magnetic properties and DFT calculations of azido-copper(ii) complexes with different azido-bonding, nuclearity and dimensionality
New Journal of Chemistry, 2018, 42, 2627-2639
2.414Citations (PDF)
54H‐Mediated Magnetic Interactions between Layers in a 2D MnII–Dicyanamide Polymer: Neutron Diffraction, DFT, and Quantum Monte Carlo Calculations1.82Citations (PDF)
55Slow relaxation of magnetization in a bis-mer-tridentate octahedral Co(ii) complex
Dalton Transactions, 2018, 47, 859-867
3.044Citations (PDF)
56Mononuclear Lanthanide Complexes with 18-Crown-6 Ether: Synthesis, Characterization, Magnetic Properties, and Theoretical Studies
Inorganic Chemistry, 2018, 57, 13225-13234
4.630Citations (PDF)
57Benchmarking Density Functional Methods for Calculation of State Energies of First Row Spin-Crossover Molecules
Inorganic Chemistry, 2018, 57, 14097-14105
4.6178Citations (PDF)
58Designing a Dy2 Single-Molecule Magnet with Two Well-Differentiated Relaxation Processes by Using a Nonsymmetric Bis-bidentate Bipyrimidine-N-Oxide Ligand: A Comparison with Mononuclear Counterparts
Inorganic Chemistry, 2018, 57, 6362-6375
4.666Citations (PDF)
59An Unprecedented Stimuli‐Controlled Single‐Crystal Reversible Phase Transition of a Metal–Organic Framework and Its Application to a Novel Method of Guest Encapsulation
Advanced Materials, 2018, 30,
24.548Citations (PDF)
60Effect of Heteroatoms on Field-Induced Slow Magnetic Relaxation of Mononuclear FeIII (S = 5/2) Ions within Polyoxometalates
Inorganic Chemistry, 2018, 57, 6957-6964
4.617Citations (PDF)
61Element-Selective Molecular Charge Transport Characteristics of Binuclear Copper(II)-Lanthanide(III) Complexes
Inorganic Chemistry, 2018, 57, 9274-9285
4.69Citations (PDF)
62Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds
Chemical Science, 2018, 9, 6988-6996
7.121Citations (PDF)
63Boosting Self‐Assembly Diversity in the Solid‐State by Chiral/Non‐Chiral ZnII‐Porphyrin Crystallization
Chemistry - A European Journal, 2018, 24, 12950-12960
3.412Citations (PDF)
64Metal-Controlled Magnetoresistance at Room Temperature in Single-Molecule Devices15.059Citations (PDF)
65Investigation of easy-plane magnetic anisotropy in P-ligand square-pyramidal CoII single ion magnets
Chemical Communications, 2017, 53, 5338-5341
3.455Citations (PDF)
66Analysis of Magnetic Anisotropy and the Role of Magnetic Dilution in Triggering Single‐Molecule Magnet (SMM) Behavior in a Family of CoIIYIII Dinuclear Complexes with Easy‐Plane Anisotropy
Chemistry - A European Journal, 2017, 23, 11649-11661
3.463Citations (PDF)
67Six States Switching of Redox-Active Molecular Tweezers by Three Orthogonal Stimuli15.056Citations (PDF)
68Quantitative Estimation of Ising‐Type Magnetic Anisotropy in a Family of C3‐Symmetric CoII Complexes
Chemistry - A European Journal, 2017, 23, 12550-12558
3.440Citations (PDF)
69Models to predict the magnetic properties of single- and multiple-bridged phosphate CuII systems: a theoretical DFT insight6.39Citations (PDF)
70Single-molecule magnetism arising from cobalt(ii) nodes of a crystalline sponge5.174Citations (PDF)
71Coming full circle: constructing a [Gd6] wheel dimer by dimer and the importance of spin topology
Dalton Transactions, 2017, 46, 10255-10263
3.018Citations (PDF)
72Tunable Magnetization Dynamics through Solid-State Ligand Substitution Reaction
Inorganic Chemistry, 2017, 56, 8829-8836
4.615Citations (PDF)
73Influence of the Disposition of the Anisotropy Axes into the Magnetic Properties of MnIII Dinuclear Compounds with Benzoato Derivative Bridges
Inorganic Chemistry, 2017, 56, 8135-8146
4.65Citations (PDF)
74An Unsaturated Four‐Coordinate Dimethyl Dimolybdenum Complex with a Molybdenum–Molybdenum Quadruple Bond3.412Citations (PDF)
75Antiferro- to ferromagnetic crossover in diphenoxido bridged NiII2MnII complexes derived from N2O2 donor Schiff base ligands
Polyhedron, 2016, 117, 57-63
2.415Citations (PDF)
76Rational Design of Lanthanoid Single‐Ion Magnets: Predictive Power of the Theoretical Models
Chemistry - A European Journal, 2016, 22, 13532-13539
3.437Citations (PDF)
77Exchange Interactions on the Highest-Spin Reported Molecule: the Mixed-Valence Fe42 Complex3.419Citations (PDF)
78Ferromagnetism in polynuclear systems based on non-linear [MnII2MnIII] building blocks
Inorganic Chemistry Frontiers, 2016, 3, 1272-1279
6.313Citations (PDF)
79DFT approaches to transport calculations in magnetic single-molecule devices1.311Citations (PDF)
80Lanthanide Tetrazolate Complexes Combining Single‐Molecule Magnet and Luminescence Properties: The Effect of the Replacement of Tetrazolate N3 by β‐Diketonate Ligands on the Anisotropy Energy Barrier
Chemistry - A European Journal, 2016, 22, 14548-14559
3.453Citations (PDF)
81Electronic Structure Modulation in an Exceptionally Stable Non‐Heme Nitrosyl Iron(II) Spin‐Crossover Complex
Chemistry - A European Journal, 2016, 22, 12741-12751
3.415Citations (PDF)
82Magnetic and transport properties of Fe4single-molecule magnets: a theoretical insight
Dalton Transactions, 2016, 45, 18867-18875
3.09Citations (PDF)
83Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations15.0100Citations (PDF)
84MEPROCS framework for Craniofacial Superimposition: Validation study
Legal Medicine, 2016, 23, 99-108
1.39Citations (PDF)
85Predetermined Ferromagnetic Coupling via Strict Control of M–O–M Angles
Inorganic Chemistry, 2016, 55, 11707-11715
4.618Citations (PDF)
86A low spin manganese(iv) nitride single molecule magnet
Chemical Science, 2016, 7, 6132-6140
7.1130Citations (PDF)
87Single-Molecule Magnet Properties of Transition-Metal Ions Encapsulated in Lacunary Polyoxometalates: A Theoretical Study
Inorganic Chemistry, 2016, 55, 6405-6413
4.625Citations (PDF)
88Theoretical Modeling of the Ligand-Tuning Effect over the Transition Temperature in Four-Coordinated FeII Molecules
Inorganic Chemistry, 2016, 55, 1657-1663
4.629Citations (PDF)
89Pyridinethiolate Titanocene Metalloligands and Their Self-Assembly Reactions To Yield Early–Late Metallamacrocycles
Organometallics, 2016, 35, 336-345
2.911Citations (PDF)
90Sequential Electron Transport and Vibrational Excitations in an Organic Molecule Coupled to Few-Layer Graphene Electrodes
ACS Nano, 2016, 10, 2521-2527
15.355Citations (PDF)
91Large Conductance Switching in a Single-Molecule Device through Room Temperature Spin-Dependent Transport
Nano Letters, 2016, 16, 218-226
8.7169Citations (PDF)
92Multiscale study of mononuclear CoII SMMs based on curcuminoid ligands
Chemical Science, 2016, 7, 2793-2803
7.158Citations (PDF)
93Negatively Charged Metallacarborane Redox Couples with Both Members Stable to Air
Chemistry - A European Journal, 2015, 21, 6888-6897
3.425Citations (PDF)
94Magnetic Behaviour of Transition Metal Complexes with Functionalized Chiral and C60-Filled Nanotubes as Bridging Ligands: A Theoretical Study
Magnetochemistry, 2015, 1, 62-71
2.24Citations (PDF)
95Large magnetic anisotropy in mononuclear metal complexes
Coordination Chemistry Reviews, 2015, 289-290, 379-392
23.1403Citations (PDF)
96A trinuclear CuII complex with functionalized s-heptazine N-ligands: molecular chemistry from a g-C3N4 fragment
Dalton Transactions, 2015, 44, 15761-15763
3.010Citations (PDF)
97Increasing the effective energy barrier promoted by the change of a counteranion in a Zn–Dy–Zn SMM: slow relaxation via the second excited state
Chemical Communications, 2015, 51, 12353-12356
3.463Citations (PDF)
98Theoretical modeling of two-step spin-crossover transitions in FeII dinuclear systems5.148Citations (PDF)
99First evidence of light-induced spin transition in molybdenum(iv)
Chemical Communications, 2015, 51, 8229-8232
3.465Citations (PDF)
100Amending the Anisotropy Barrier and Luminescence Behavior of Heterometallic Trinuclear Linear [MIILnIIIMII] (LnIII=Gd, Tb, Dy; MII=Mg/Zn) Complexes by Change from Divalent Paramagnetic to Diamagnetic Metal Ions
Chemistry - A European Journal, 2015, 21, 6449-6464
3.466Citations (PDF)
101Neodymium 1D systems: targeting new sources for field-induced slow magnetization relaxation
Dalton Transactions, 2015, 44, 15774-15778
3.041Citations (PDF)
102Different topologies in three manganese-μ-azido 1D compounds: magnetic behavior and DFT-quantum Monte Carlo calculations
Dalton Transactions, 2015, 44, 18632-18642
3.07Citations (PDF)
103Modulation of single-molecule magnet behaviour via photochemical [2+2] cycloaddition
Chemical Communications, 2015, 51, 15358-15361
3.477Citations (PDF)
104Two C3‐Symmetric Dy3III Complexes with Triple Di‐μ‐methoxo‐μ‐phenoxo Bridges, Magnetic Ground State, and Single‐Molecule Magnetic Behavior
Chemistry - A European Journal, 2014, 20, 8410-8420
3.443Citations (PDF)
105All-round robustness of the Mn19 coordination cluster system: experimental validation of a theoretical prediction
Chemical Communications, 2014, 50, 5847-5850
3.417Citations (PDF)
106Experimental and Theoretical Studies on Arene‐Bridged Metal–Metal‐Bonded Dimolybdenum Complexes
Chemistry - A European Journal, 2014, 20, 6092-6102
3.433Citations (PDF)
107A Racemic and Enantiopure Unsymmetric Diiron(III) Complex with a Chiral o‐Carborane‐Based Pyridylalcohol Ligand: Combined Chiroptical, Magnetic, and Nonlinear Optical Properties
Chemistry - A European Journal, 2014, 20, 1081-1090
3.426Citations (PDF)
108Huge Magnetic Anisotropy in a Trigonal-Pyramidal Nickel(II) Complex
Inorganic Chemistry, 2014, 53, 676-678
4.654Citations (PDF)
109Spin-Crossover Behavior in Two New Supramolecular Isomers
Inorganic Chemistry, 2014, 53, 201-208
4.625Citations (PDF)
110Guest Modulation of Spin‐Crossover Transition Temperature in a Porous Iron(II) Metal–Organic Framework: Experimental and Periodic DFT Studies
Chemistry - A European Journal, 2014, 20, 12864-12873
3.465Citations (PDF)
111Ferro- to Antiferromagnetic Crossover Angle in Diphenoxido- and Carboxylato-Bridged Trinuclear NiII2–MnII Complexes: Experimental Observations and Theoretical Rationalization
Inorganic Chemistry, 2014, 53, 9296-9305
4.642Citations (PDF)
112Rational Electrostatic Design of Easy‐Axis Magnetic Anisotropy in a ZnII–DyIII–ZnII Single‐Molecule Magnet with a High Energy Barrier
Chemistry - A European Journal, 2014, 20, 14262-14269
3.4103Citations (PDF)
113Origin of slow magnetic relaxation in Kramers ions with non-uniaxial anisotropy13.7395Citations (PDF)
114Effect of Metal Complexation on the Conductance of Single-Molecular Wires Measured at Room Temperature15.058Citations (PDF)
115Slow Magnetic Relaxation in a CoII–YIII Single‐Ion Magnet with Positive Axial Zero‐Field Splitting14.4287Citations (PDF)
116Two 3d–4f nanomagnets formed via a two-step in situ reaction of picolinaldehyde
Chemical Communications, 2013, 49, 6549
3.472Citations (PDF)
117Spin-polarized transport through single-molecule magnet Mn6 complexes
Nanoscale, 2013, 5, 4751
5.020Citations (PDF)
118A density functional theory approach to the magnetic properties of a coupled single-molecule magnet (Mn7)2 complex — An entangled qubit pair candidate1.72Citations (PDF)
119A MnII6MnIII6 Single-Strand Molecular Wheel with a Reuleaux Triangular Topology: Synthesis, Structure, Magnetism, and DFT Studies
Inorganic Chemistry, 2013, 52, 12070-12079
4.620Citations (PDF)
120Shedding Light on the Single-Molecule Magnet Behavior of Mononuclear DyIII Complexes
Inorganic Chemistry, 2013, 52, 13770-13778
4.6190Citations (PDF)
121Unprecedented ferromagnetic dipolar interaction in a dinuclear holmium(iii) complex: a combined experimental and theoretical study
Chemical Communications, 2013, 49, 9341
3.436Citations (PDF)
122Interconversion of Quadruply and Quintuply Bonded Molybdenum Complexes by Reductive Elimination and Oxidative Addition of Dihydrogen
Angewandte Chemie, 2013, 125, 3309-3313
1.423Citations (PDF)
123Interconversion of Quadruply and Quintuply Bonded Molybdenum Complexes by Reductive Elimination and Oxidative Addition of Dihydrogen14.455Citations (PDF)
124Mononuclear Single-Molecule Magnets: Tailoring the Magnetic Anisotropy of First-Row Transition-Metal Complexes15.0459Citations (PDF)
125Self-Assembly of Pentanuclear Mesocate versus Octanuclear Helicate: Size Effect of the [MII3(μ3-O/X)]n+ Triangle Core
Inorganic Chemistry, 2013, 52, 1099-1107
4.637Citations (PDF)
126Spins on a curved surface: an FeIII14 ferracalixarene
Dalton Transactions, 2013, 42, 9606
3.06Citations (PDF)
127Magnetic Interactions Mediated by Diamagnetic Cations in [Mn18M] (M = Sr2+, Y3+, Cd2+, and Lu3+) Coordination Clusters
Inorganic Chemistry, 2013, 52, 5764-5774
4.621Citations (PDF)
128Structures, Magnetochemistry, Spectroscopy, Theoretical Study, and Catechol Oxidase Activity of Dinuclear and Dimer-of-Dinuclear Mixed-Valence MnIIIMnII Complexes Derived from a Macrocyclic Ligand
Inorganic Chemistry, 2013, 52, 7732-7746
4.677Citations (PDF)
129CuIIGdIII Cryogenic Magnetic Refrigerants and Cu8Dy9 Single‐Molecule Magnet Generated by In Situ Reactions of Picolinaldehyde and Acetylpyridine: Experimental and Theoretical Study
Chemistry - A European Journal, 2013, 19, 17567-17577
3.491Citations (PDF)
130Reversible Chemisorption of Sulfur Dioxide in a Spin Crossover Porous Coordination Polymer
Inorganic Chemistry, 2013, 52, 12777-12783
4.682Citations (PDF)
131Slow Magnetic Relaxation in a CoII–YIII Single‐Ion Magnet with Positive Axial Zero‐Field Splitting
Angewandte Chemie, 2013, 125, 9300-9304
1.454Citations (PDF)
132Coherent Transport through Spin-Crossover Single Molecules15.0158Citations (PDF)
133Enhanced bistability by guest inclusion in Fe(ii) spin crossover porous coordination polymers
Chemical Communications, 2012, 48, 4686
3.4116Citations (PDF)
134Field and dilution effects on the slow relaxation of a luminescent DyO9 low-symmetry single-ion magnet
Chemical Communications, 2012, 48, 7916
3.4211Citations (PDF)
135Exchange coupling and magnetic anisotropy of exchanged-biased quantum tunnelling single-molecule magnet Ni3Mn2 complexes using theoretical methods based on Density Functional Theory
Dalton Transactions, 2012, 41, 2659
3.06Citations (PDF)
136Exchange Coupling Mediated by N–H···Cl Hydrogen Bonds: Experimental and Theoretical Study of the Frustrated Magnetic System in Bis(o-phenylenediamine)nickel(II) Chloride
Inorganic Chemistry, 2012, 51, 5487-5493
4.625Citations (PDF)
137CoIILnIII dinuclear complexes (LnIII = Gd, Tb, Dy, Ho and Er) as platforms for 1,5-dicyanamide-bridged tetranuclear CoII2LnIII2 complexes: A magneto-structural and theoretical study
Comptes Rendus Chimie, 2012, 15, 878-888
0.727Citations (PDF)
138Charge Transfer and Tunable Ambipolar Effect Induced by Assembly of Cu(II) Binuclear Complexes on Carbon Nanotube Field Effect Transistor Devices15.024Citations (PDF)
139Hexanuclear Copper(II) Cages Built on a Central {μ3–O···H···μ3–O} Moiety, 1,3-Bis(dimethylamino)-2-propanolato and Capping R-phosphonates: Crystal Structures, Magnetic Behavior, and DFT Studies
Inorganic Chemistry, 2012, 51, 6842-6850
4.621Citations (PDF)
140Synthesis, crystal structure and magnetism of new salicylamidoxime-based hexanuclear manganese(iii) single-molecule magnets
Dalton Transactions, 2012, 41, 13668
3.035Citations (PDF)
141Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior
Inorganic Chemistry, 2012, 51, 5857-5868
4.6145Citations (PDF)
142Triangular Nickel Complexes Derived from 2‐Pyridylcyanoxime: An Approach to the Magnetic Properties of the [Ni3(μ3‐OH){pyC(R)NO}3]2+ Core
Chemistry - A European Journal, 2012, 18, 3637-3648
3.437Citations (PDF)
143Theoretical Study of Exchange Coupling in 3d-Gd Complexes: Large Magnetocaloric Effect Systems15.0165Citations (PDF)
144Self-Assembly of Heterometallic Metallomacrocycles via Ditopic Fluoroaryl Gold(I) Organometallic Metalloligands
Organometallics, 2012, 31, 1533-1545
2.931Citations (PDF)
145ST= 22 [Mn10] Supertetrahedral Building-Block to Design Extended Magnetic Networks
Inorganic Chemistry, 2011, 50, 8580-8587
4.630Citations (PDF)
146Mononuclear FeII Single-Molecule Magnets: A Theoretical Approach
Inorganic Chemistry, 2011, 50, 4016-4020
4.647Citations (PDF)
147Thermal behavior of Si-doped fullerenes vs their structural stability at T= 0 K: A density functional study
Chemical Physics Letters, 2011, 510, 14-17
2.718Citations (PDF)
148Ni‐2,3‐thiophenedithiolate Anions in New Architectures: An In‐Line Mixed‐Valence Ni Dithiolene (Ni4–S12) Cluster1.812Citations (PDF)
149Exchange coupling constants using density functional theory: Long‐range corrected functionals4.850Citations (PDF)
150The Use of a Bis(phenylpyrazolyl)pyridyl Ligand to Prepare [Mn4] and [Mn10] Cage Complexes
Chemistry - A European Journal, 2011, 17, 4960-4963
3.424Citations (PDF)
151The Dilemma of CrIIINiII Exchange Interactions: Ferromagnetism versus Antiferromagnetism
Chemistry - A European Journal, 2011, 17, 8841-8849
3.43Citations (PDF)
152A Molecular Pair of [GdNi3] Tetrahedra Bridged by Water Molecules
Chemistry - A European Journal, 2011, 17, 8264-8268
3.460Citations (PDF)
153Design of Dinuclear Copper Species with Carboranylcarboxylate Ligands: Study of Their Steric and Electronic Effects
Chemistry - A European Journal, 2011, 17, 13217-13229
3.428Citations (PDF)
154Fatty Acid Carboxylate‐ and Anionic Surfactant‐Controlled Delivery Systems That Use Mesoporous Silica Supports
Chemistry - A European Journal, 2010, 16, 10048-10061
3.416Citations (PDF)
155Magnetic coupling in trinuclear partial cubane copper(II) complexes with a hydroxo bridging core and peripheral phenoxo bridges from NNO donor Schiff base ligands
Inorganica Chimica Acta, 2010, 363, 846-854
2.839Citations (PDF)
156Structural and electronic effects on the exchange interactions in dinuclear bis(phenoxo)-bridged copper(II) complexes
Coordination Chemistry Reviews, 2010, 254, 2086-2095
23.1159Citations (PDF)
157Synthesis, crystal structure and magnetic properties of two oxalato-bridged dimetallic trinuclear complexes combined with a polar cation
Dalton Transactions, 2010, 39, 4951
3.036Citations (PDF)
158Electronic structure and localization properties ofC60Tanclusters(n=1,3): A first-principles study
Physical Review B, 2010, 81,
3.44Citations (PDF)
159Synthesis of a novel heptacoordinated Fe(iii) dinuclear complex: experimental and theoretical study of the magnetic properties
Dalton Transactions, 2010, 39, 4874
3.038Citations (PDF)
160Magneto-Structural Correlation Studies and Theoretical Calculations of a Unique Family of Single End-to-End Azide-Bridged NiII4 Cyclic Clusters
Inorganic Chemistry, 2010, 49, 9517-9526
4.654Citations (PDF)
161A new family of oxime-based hexanuclear manganese(iii) single molecule magnets with high anisotropy energy barriers
Chemical Communications, 2010, 46, 5106-5108
3.454Citations (PDF)
162Magnetic Properties of Largest-Spin Single Molecule Magnets: Mn17 Complexes—A Density Functional Theory Approach
Inorganic Chemistry, 2010, 49, 9641-9648
4.632Citations (PDF)
163Extended Fe4 butterfly complexes: theoretical analysis of magnetic properties and magnetostructural maps
Dalton Transactions, 2010, 39, 4832
3.08Citations (PDF)
164Synthesis, crystal structure and magnetic properties of three unprecedented tri-nuclear and one very rare tetra-nuclear copper(ii) Schiff-base complexes supported by mixed azido/phenoxo/nitrato or acetato bridges
Dalton Transactions, 2010, 39, 7474
3.078Citations (PDF)
165How to Build Molecules with Large Magnetic Anisotropy
Chemistry - A European Journal, 2009, 15, 4078-4087
3.4177Citations (PDF)
166Borate‐Driven Gatelike Scaffolding Using Mesoporous Materials Functionalised with Saccharides
Chemistry - A European Journal, 2009, 15, 6877-6888
3.479Citations (PDF)
167A Mixed-Valent Pentanuclear CuII4CuI Compound Containing a Radical-Anion Ligand
Inorganic Chemistry, 2009, 48, 10643-10651
4.620Citations (PDF)
168Exchange Interactions in Azido-Bridged Ligand NiII Complexes: A Theoretical Analysis
Inorganic Chemistry, 2009, 48, 3139-3144
4.643Citations (PDF)
169Discovering the Complex Chemistry of a Simple NiII/H3L System: Magnetostructural Characterization and DFT Calculations of Di- and Polynuclear Nickel(II) Compounds
Inorganic Chemistry, 2009, 48, 9861-9873
4.630Citations (PDF)
170Magnetic Bistability and Thermochromism in a Molecular CuII Chain
Inorganic Chemistry, 2009, 48, 1269-1271
4.648Citations (PDF)
171Theoretical Methods Enlighten Magnetic Properties of a Family of Mn6Single-Molecule Magnets
Inorganic Chemistry, 2009, 48, 8012-8019
4.676Citations (PDF)
172Can theoretical methods go beyond the experimental data? The case of molecular magnetism
Dalton Transactions, 2009, , 5873
3.022Citations (PDF)
173Single-molecule magnet Fe9 supramolecular dimers: a theoretical approach to intramolecular and intermolecular exchange interactions3.413Citations (PDF)
174Structure, Magnetic Properties, Polarized Neutron Diffraction, and Theoretical Study of a Copper(II) Cubane
Chemistry - A European Journal, 2008, 14, 9540-9548
3.433Citations (PDF)
175Exchange coupling in CuIIGdIII dinuclear complexes: A theoretical perspective
Comptes Rendus Chimie, 2008, 11, 1227-1234
0.768Citations (PDF)
176Magnetic exchange interaction in triply bridged dinickel(II) complexes
Chemical Physics Letters, 2008, 452, 38-43
2.724Citations (PDF)
177Exchange coupling constants using density functional theory: The M0X suite
Chemical Physics Letters, 2008, 460, 336-338
2.739Citations (PDF)
178Exchange interactions in a Fe5 complex: A theoretical study using density functional theory
Inorganica Chimica Acta, 2008, 361, 3832-3835
2.89Citations (PDF)
179Experimental and theoretical study of the spin ground state of the high-spin molecular cluster [NiII{NiII(CH3OH)3}8(μ-CN)30{WV(CN)3}6] · 15CH3OH by polarised neutron diffraction and density functional theory calculations
Inorganica Chimica Acta, 2008, 361, 3609-3615
2.87Citations (PDF)
180Structure and Magnetism of Dinuclear Copper(II) Metallacyclophanes with Oligoacenebis(oxamate) Bridging Ligands:  Theoretical Predictions on Wirelike Magnetic Coupling15.068Citations (PDF)
181On the origin of ferromagnetism in oximato-based [Mn3O]7+triangles
Dalton Transactions, 2008, , 234-240
3.066Citations (PDF)
182Can large magnetic anisotropy and high spin really coexist?3.4232Citations (PDF)
183Dual Aperture Control on pH- and Anion-Driven Supramolecular Nanoscopic Hybrid Gate-like Ensembles15.0222Citations (PDF)
184Stereochemistry and Spin State in Four-Coordinate Transition Metal Compounds
Inorganic Chemistry, 2008, 47, 2871-2889
4.693Citations (PDF)
185Squarato−Metal(II) Complexes. 2. Unusual Bonding Mode for a Squarato-Bridged Trinuclear Copper(II) Complex
Inorganic Chemistry, 2008, 47, 4648-4655
4.628Citations (PDF)
186Magnetic Structure of the Large-Spin Mn10 and Mn19 Complexes: A Theoretical Complement to an Experimental Milestone15.095Citations (PDF)
187Theoretical Study of the Magnetic Properties of an Mn12 Single-Molecule Magnet with a Loop Structure:  The Role of the Next-Nearest Neighbor Interactions5.144Citations (PDF)
188Ferromagnetic Coupling in a 1D Coordination Polymer Containing a Symmetric [Cu(μ1,1-N3)2Cu(μ1,1-N3)2Cu]2+ Core and Based on an Organic Ligand Obtained from the Solid State
Inorganic Chemistry, 2007, 46, 8843-8850
4.674Citations (PDF)
189Strong Antiferromagnetic Coupling at Long Distance through a Ligand to Metal Charge Transfer Mechanism3.119Citations (PDF)
190Molecules Composed of Two Weakly Magnetically Coupled [MnIII4] Clusters
Inorganic Chemistry, 2007, 46, 9045-9047
4.655Citations (PDF)
191Self-Assembly Reactions between the Cis-Protected Metal Corners (N−N)MII(N−N = Ethylenediamine, 4,4‘-Substituted 2,2‘-Bipyridine; M = Pd, Pt) and the Fluorinated Edge 1,4-Bis(4-pyridyl)tetrafluorobenzene
Inorganic Chemistry, 2007, 46, 3395-3406
4.683Citations (PDF)
192Neutron Diffraction and Theoretical DFT Studies of Two Dimensional Molecular-Based Magnet K2[Mn(H2O)2]3[Mo(CN)7]2·6H2O
Inorganic Chemistry, 2007, 46, 1090-1099
4.633Citations (PDF)
193Strong Magnetic Interactions through Weak Bonding Interactions in Organometallic Radicals: Combined Experimental and Theoretical Study
Chemistry - A European Journal, 2007, 13, 8858-8866
3.430Citations (PDF)
194Ferromagnetic Coupling in Trinuclear, Partial Cubane CuII Complexes with a μ3‐OH Core: Magnetostructural Correlations
Chemistry - A European Journal, 2007, 13, 9297-9309
3.472Citations (PDF)
195Theoretical study of the exchange coupling interactions in a polyoxometalate Fe9W12 complex
Polyhedron, 2007, 26, 2161-2164
2.46Citations (PDF)
196Density functional study of magnetostructural correlations in cubane complexes containing the Cu4O4core
Journal of Materials Chemistry, 2006, 16, 2729-2735
7.3113Citations (PDF)
197Theoretical Determination of Multiple Exchange Couplings and Magnetic Susceptibility Data in Inorganic Solids:  The Prototypical Case of Cu2(OH)3NO32.744Citations (PDF)
198Magnetostructural Correlations in Polynuclear Complexes:  The Fe4Butterflies15.094Citations (PDF)
199Magnetic Communication through Functionalized Nanotubes: A Theoretical Study
Nano Letters, 2006, 6, 380-384
8.715Citations (PDF)
200Theoretical study of the exchange coupling in a Ni12 single-molecule magnet
Dalton Transactions, 2006, , 2643
3.023Citations (PDF)
201Theoretical study of the electronic properties and exchange coupling in a Ni4 cubane like single-molecule magnet
Physica B: Condensed Matter, 2006, 384, 123-125
2.711Citations (PDF)
202Exchange coupling interactions in a Fe6 complex: A theoretical study using density functional theory
Physica B: Condensed Matter, 2006, 384, 116-119
2.78Citations (PDF)
203A Family of Ferro- and Antiferromagnetically Coupled Decametallic Chromium(III) Wheels
Chemistry - A European Journal, 2006, 12, 1385-1396
3.457Citations (PDF)
204Shape and Spin State in Four-Coordinate Transition-Metal Complexes: The Case of the d6 Configuration
Chemistry - A European Journal, 2006, 12, 3162-3167
3.4187Citations (PDF)
205Encouraging Chromium(III) Ions to Form Larger Clusters: Syntheses, Structures, Magnetic Properties and Theoretical Studies of Di- and Octametallic Cr Clusters1.820Citations (PDF)
206Cation templation of Mn2+/[Mo(CN)7]4− system: Formation of pseudo-dimorphs (NH4)2Mn3(H2O)4[Mo(CN)7]2·nH2O (n=4, 5)
Polyhedron, 2005, 24, 1033-1046
2.45Citations (PDF)
207An Fe11 complex showing single-molecule magnet behavior: Theoretical study using density functional methods and Monte Carlo simulations
Polyhedron, 2005, 24, 2364-2367
2.48Citations (PDF)
208Spin density distribution in transition metal complexes
Coordination Chemistry Reviews, 2005, 249, 2649-2660
23.1185Citations (PDF)
209Theoretical determination of the exchange coupling constants of a single-molecule magnet Fe10 complex
Chemical Physics Letters, 2005, 415, 6-9
2.724Citations (PDF)
210About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error
Journal of Chemical Physics, 2005, 123, 164110
2.8331Citations (PDF)
211Theoretical Study of the Magnetic Behavior of Ferric Wheels
ChemPhysChem, 2005, 6, 1094-1099
1.919Citations (PDF)
212Symmetry and Topology Determine the MoV-CN-MnIIExchange Interactions in High-Spin Molecules14.469Citations (PDF)
213Symmetry and Topology Determine the MoV-CN-MnIIExchange Interactions in High-Spin Molecules
Angewandte Chemie, 2005, 117, 2771-2775
1.415Citations (PDF)
214Ferromagnetic Interaction in ?1,3-Cyanamido-Derived Copper(II) Cryptates3.417Citations (PDF)
215Is It Possible To Get HighTCMagnets with Prussian Blue Analogues? A Theoretical Prospect
Chemistry - A European Journal, 2005, 11, 2135-2144
3.4133Citations (PDF)
216Density Functional Study of Exchange Coupling Constants in Single-Molecule Magnets: The Fe8 Complex
Chemistry - A European Journal, 2005, 11, 4767-4771
3.443Citations (PDF)
217[Cu3(μ-S)2]3+Clusters Supported by N-Donor Ligands:  Progress Toward a Synthetic Model of the Catalytic Site of Nitrous Oxide Reductase15.080Citations (PDF)
218Exchange coupling in µ-aqua:µ-oxo vs. di-µ-hydroxo dinuclear Cu(ii) compounds: a density functional study
Dalton Transactions, 2005, , 2624
3.018Citations (PDF)
219Continuous Shape Measures as a Stereochemical Tool in Organometallic Chemistry
Organometallics, 2005, 24, 1556-1562
2.9190Citations (PDF)
220Asymmetric Azido−Copper(II) Bridges:  Ferro- or Antiferromagnetic? Experimental and Theoretical Magneto−Structural Studies
Inorganic Chemistry, 2005, 44, 5501-5508
4.6166Citations (PDF)
221Unexpected Ferromagnetic Interaction in a New Tetranuclear Copper(II) Complex:  Synthesis, Crystal Structure, Magnetic Properties, and Theoretical Studies
Inorganic Chemistry, 2005, 44, 5011-5020
4.673Citations (PDF)
222Dendrimers Containing Two Metallic Layers. Chloride Migration from Peripheral Gold, Palladium, or Rhodium Metals to Internal Ruthenium Atoms
Organometallics, 2005, 24, 6365-6373
2.920Citations (PDF)
223Exchange coupling in transition-metal complexes via density-functional theory: Comparison and reliability of different basis set approaches
Journal of Chemical Physics, 2005, 123, 074102
2.8105Citations (PDF)
224A Theoretical Study of the Exchange Coupling in Hydroxo- and Alkoxo-Bridged Dinuclear Oxovanadium(IV) Compounds1.839Citations (PDF)
225Novel CuIII Bis-1,2-dichalcogenene Complexes with Tunable 3D Framework through Alkaline Cation Coordination: A Structural and Theoretical Study
Chemistry - A European Journal, 2004, 10, 1691-1704
3.473Citations (PDF)
226Theoretical study of exchange coupling constants in an Fe19 complex4.742Citations (PDF)
227Magneto-Structural Correlations in Trinuclear Cu(II) Complexes: A Density Functional Study
Monatshefte Für Chemie, 2003, 134, 307-316
1.626Citations (PDF)
228Localized Orbitals vs . Pseudopotential-Plane Waves Basis Sets: Performances and Accuracy for Molecular Magnetic Systems
Monatshefte Für Chemie, 2003, 134, 317-326
1.613Citations (PDF)
229About the calculation of exchange coupling constants in polynuclear transition metal complexes4.8494Citations (PDF)
230Exchange Coupling in Metal Complexes of the Second Transition Series: A Theoretical Exploration1.824Citations (PDF)
231Calculation of exchange coupling constants in solid state transition metal compounds using localized atomic orbital basis sets3.2148Citations (PDF)
232Theoretical Study of the Magnetic Behavior of Hexanuclear Cu(II) and Ni(II) Polysiloxanolato Complexes15.077Citations (PDF)
233A Novel Hexanuclear Mixed Oxidation State CuII4CuI2 Cluster Complex Exhibiting Weak Ferromagnetic Exchange
Inorganic Chemistry, 2003, 42, 1107-1111
4.619Citations (PDF)
234Tailor-Made Strong Exchange Magnetic Coupling through Very Long Bridging Ligands:  Theoretical Predictions
Inorganic Chemistry, 2003, 42, 4881-4884
4.630Citations (PDF)
235Equilibria between Metallosupramolecular Squares and Triangles with the New Rigid Linker 1,4-Bis(4-pyridyl)tetrafluorobenzene. Experimental and Theoretical Study of the Structural Dependence of NMR Data
Inorganic Chemistry, 2003, 42, 5890-5899
4.698Citations (PDF)
236Exchange Coupling of Transition-Metal Ions through Hydrogen Bonding:  A Theoretical Investigation15.0211Citations (PDF)
237Spin Densities in a Ferromagnetic Bimetallic Chain Compound:  Polarized Neutron Diffraction and DFT Calculations15.037Citations (PDF)
238Exchange Coupling in Halo-Bridged Dinuclear Cu(II) Compounds:  A Density Functional Study
Inorganic Chemistry, 2002, 41, 3769-3778
4.6123Citations (PDF)
239Further Theoretical Evidence for the Exceptionally Strong Ferromagnetic Coupling in Oxo-Bridged Cu(II) Dinuclear Complexes
Journal of Physical Chemistry A, 2002, 106, 4938-4941
2.550Citations (PDF)
240New Oxamidato-Bridged CuII−NiIIComplexes:  Supramolecular Structures with Thiocyanate Ligands and Hydrogen Bonds. Magnetostructural Studies:  DFT Calculations
Inorganic Chemistry, 2002, 41, 6780-6789
4.653Citations (PDF)
241Room-Temperature Synthesis and Crystal, Magnetic, and Electronic Structure of the First Silver Copper Oxide
Inorganic Chemistry, 2002, 41, 6604-6613
4.646Citations (PDF)
242Early-late transition metal ferromagnetic coupling mediated by hydrogen bonding
Chemical Communications, 2002, , 2614-2615
3.435Citations (PDF)
243Electronic Interactions in (η6-Arene) Ferracarboranes1
Organometallics, 2002, 21, 4129-4137
2.925Citations (PDF)
244Theoretical Clues to the Mechanism of Dioxygen Formation at the Oxygen-Evolving Complex of Photosystem II3.422Citations (PDF)
245Helical Self‐Organization and Hierarchical Self‐Assembly of an Oligoheterocyclic Pyridine–Pyridazine Strand into Extended Supramolecular Fibers
Chemistry - A European Journal, 2002, 8, 3448-3457
3.482Citations (PDF)
246Color and Conductivity in Cu2O and CuAlO2:  A Theoretical Analysis of d10···d10 Interactions in Solid-State Compounds
Chemistry of Materials, 2001, 13, 338-344
6.780Citations (PDF)
247Copper(II) Complexes with 4-Amino-N-[4,6-dimethyl-2-pyrimidinyl]benzenesulfonamide. Synthesis, Crystal Structure, Magnetic Properties, EPR, and Theoretical Studies of a Novel Mixed μ-Carboxylato, NCN-Bridged Dinuclear Copper Compound
Inorganic Chemistry, 2001, 40, 3089-3096
4.657Citations (PDF)
2482-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes:  X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal
Chemistry of Materials, 2001, 13, 3993-4004
6.749Citations (PDF)
249Exchange Coupling in Cyano-Bridged Homodinuclear Cu(II) and Ni(II) Complexes:  Synthesis, Structure, Magnetism, and Density Functional Theoretical Study
Inorganic Chemistry, 2001, 40, 5868-5877
4.674Citations (PDF)
250Electron Transfer in the [Pt(NH3)4]2+ [W(CN)8]3- Donor−Acceptor System. The Environment Effect:  A Time-Dependent Density Functional Study15.039Citations (PDF)
251Density functional study of the exchange coupling in distorted cubane complexes containing the Cu4O4 core
Polyhedron, 2001, 20, 1323-1327
2.494Citations (PDF)
252Exchange Coupling in Carboxylato-Bridged Dinuclear Copper(II) Compounds: A Density Functional Study3.4338Citations (PDF)
253Asymmetry and Magnetism in Bis(oximato)-Bridged Heterobimetallic Compounds: A Computational Approach3.441Citations (PDF)
254Theoretical approach to the magnetostructural correlations in the spin-Peierls compoundCuGeO3
Physical Review B, 2000, 61, 54-57
3.417Citations (PDF)
255Magnetic Coupling in End-to-End Azido-Bridged Copper and Nickel Binuclear Complexes:  A Theoretical Study
Inorganic Chemistry, 2000, 39, 3221-3229
4.6155Citations (PDF)
256Theoretical study of the guest  · · ·  guest interactions of cobaltocene intercalated in metal sulfides
Dalton Transactions RSC, 2000, , 1463-1467
2.26Citations (PDF)
257The coloring problem in Ba2Cu3VS6 †
Dalton Transactions RSC, 2000, , 1009-1011
2.20Citations (PDF)
258Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes4.8879Citations (PDF)
259Theoretical study of the exchange coupling in copper(II) binuclear compounds with oxamidate and related polyatomic bridging ligands †1.763Citations (PDF)
260Electronic Structure and Bonding in CuMO2 (M = Al, Ga, Y) Delafossite-Type Oxides:  An Ab Initio Study
Journal of Physical Chemistry B, 1999, 103, 8060-8066
2.7102Citations (PDF)
261Theoretical search for new ferromagnetically coupled transition metal complexes
Chemical Communications, 1998, , 2767-2768
3.462Citations (PDF)
262Exchange Coupling in Oxalato-Bridged Copper(II) Binuclear Compounds: A Density Functional Study3.4200Citations (PDF)
263One-Dimensional Intercalation Compound 2 HgS⋅SnBr2: Ab Initio Electronic Structure Calculations and Molecular Dynamics Simulations
Chemistry - A European Journal, 1998, 4, 2485-2492
3.44Citations (PDF)
264Spin Density Distribution in Transition Metal Complexes: Some Thoughts and Hints2.1194Citations (PDF)
265Theoretical study of the intercalation of cobaltocene in metal chalcogenides
Journal of Materials Chemistry, 1998, 8, 1893-1900
7.34Citations (PDF)
266Electronic Structure of Host Lattices for Intercalation Compounds:  SnS2, SnSe2, ZrS2, and TaS2
Chemistry of Materials, 1998, 10, 3422-3428
6.719Citations (PDF)
267Magnetic Coupling in End-On Azido-Bridged Transition Metal Complexes:  A Density Functional Study15.0700Citations (PDF)
268Electronic Structure and Dynamic Properties of Solid Alkali Cyanides
Journal of Physical Chemistry A, 1997, 101, 1393-1399
2.514Citations (PDF)
269Toward the Prediction of Magnetic Coupling in Molecular Systems:  Hydroxo- and Alkoxo-Bridged Cu(II) Binuclear Complexes15.0835Citations (PDF)
270Electronic structure and properties ofCu2O
Physical Review B, 1997, 56, 7189-7196
3.4165Citations (PDF)
271Structural Modeling and Magneto−Structural Correlations for Hydroxo-Bridged Copper(II) Binuclear Complexes
Inorganic Chemistry, 1997, 36, 3683-3688
4.6399Citations (PDF)
272Structure of the non-polar (101̄0) surfaces of AlN and α-SiC: a periodic Hartree-Fock study
Surface Science, 1996, 355, 167-176
1.713Citations (PDF)
273Abinitiostudy of AlN and α-SiC (112¯0) surface relaxation
Physical Review B, 1996, 53, 4933-4938
3.48Citations (PDF)
274Charge-Transfer Complexes:  Stringent Tests for Widely Used Density Functionals
The Journal of Physical Chemistry, 1996, 100, 12265-12276
3.1197Citations (PDF)
275Intercalation of Halogen Molecules in Alkali Fluoride Lattices: A Theoretical Study15.05Citations (PDF)
276Defining the Domain of Density Functionals: Charge-Transfer Complexes15.0135Citations (PDF)
277Host.cntdot..cntdot..cntdot.Guest Interactions in the Pyrrole and Aniline Hofmann Clathrates. A Theoretical Study
Inorganic Chemistry, 1995, 34, 3260-3269
4.622Citations (PDF)
278Electronic Structure and Bonding in CaC23.133Citations (PDF)
279Theoretical Study of Host.cntdot..cntdot..cntdot.Guest Interactions in Clathrates with a Cd(CN)2 Host
Inorganic Chemistry, 1995, 34, 5845-5851
4.612Citations (PDF)
280Ab Initio Study of the Intermolecular Interactions in the Hofmann Clathrates3.130Citations (PDF)
281Electronic structure and properties of AlN
Physical Review B, 1994, 49, 7115-7123
3.4165Citations (PDF)
282Crystal Orbital Displacement Analysis of Interactions in the Solid State. Application to the Study of Host-Guest Interactions in the Hofmann Clathrates15.047Citations (PDF)
283Ab initio study of the bare and hydrated (001) surface of tetragonal zirconia
Surface Science, 1992, 275, 482-492
1.745Citations (PDF)
284Unprecedented trimetallic cluster with an in-plane .mu.3-hydride ligand. X-ray crystal structure of [Mo2(CO)8(.mu.-dppm)(.mu.3-H)(.mu.-AuPPh3)]
Organometallics, 1992, 11, 3753-3759
2.919Citations (PDF)
285An air-stable high-performance single-molecule magnet operating as a luminescent thermometer below its blocking temperature6.313Citations (PDF)
286Interplay of Manganese Doping in Lead-Free Cs 3 Bi 2 Br 9 Nanocrystals
0, 3, 2725-2735
2Citations (PDF)
287Room Temperature Spin‐Dependent Transport in 2D Hofmann‐Type Single‐Layer Network
Small, 0, 21,
11.50Citations (PDF)
288Anion-driven spin crossover in heteroleptic iron(III) complexes: the role of NTf2− flexibility4.80Citations (PDF)