| Optimizing Millisecond Time Scale Near-Infrared Emission in Polynuclear Chrome(III)–Lanthanide(III) Complexes | Journal of the American Chemical Society | | | 2012 | 790 | 2 |
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| Thermodynamics, Structure and Properties of Polynuclear Lanthanide Complexes with a Tripodal Ligand: Insight into their Self-Assembly | Chemistry | | | 2011 | 873 | 1 |
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| What governs nitrogen configuration in substituted aminophosphines? | Journal of physical organic chemistry | | | 2009 | 809 | 608 |
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| Tuning the polarization along linear polyaromatic strands for rationally inducing mesomorphism in lanthanide nitrate complexes | Chemistry | | | 2007 | 664 | 595 |
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| Unusual regio- and enantioselective [1,2]-Stevens rearrangement of a spirobi[dibenzazepinium] cation | Synlett | | | 2004 | 658 | 0 |
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| Tuning facial-meridional isomerisation in monometallic nine-coordinate lanthanide complexes with unsymmetrical tridentate ligands | Dalton transactions | | | 2004 | 653 | 0 |
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| Connecting Terminal Carboxylate Groups in Nine-Coordinate Lanthanide Podates: Consequences on the Thermodynamic, Structural, Electronic, and Photophysical Properties | Inorganic chemistry | | | 2003 | 725 | 0 |
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| The solution structure of homotrimetallic lanthanide helicates investigated with novel model-free multi-centre paramagnetic NMR methods | Dalton transactions | | | 2003 | 701 | 0 |
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| Density Functional Study of a Helical Organic Cation | Chimia | | | 2003 | 682 | 0 |
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| Aromatic bent-core liquid crystals : an opportunity for introducing terdentate binding units into mesophases | Chemistry of materials | | | 2002 | 785 | 0 |
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| Analysis of paramagnetic NMR spectra of triple-helical lanthanide complexes with 2,6-dipicolinic acid revisited : a new assignment of structural changes and crystal-field effects 25 years later | Inorganic chemistry | | | 2002 | 718 | 0 |
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| Intermolecular interaction energies from the total energy bi-functional. A case study of carbazole complexes | The Journal of chemical physics | | | 2002 | 722 | 0 |
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| How much correlation can we expect to account for in density functional calculations ? Case studies of electrostatic properties of small molecules | Strategies and Applications in Quantum Chemistry. Vol. 14 | | | 2002 | 622 | 0 |
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| Coupled-cluster calculations on ferrocene and its protonated derivatives : the final word on the mechanism of protonation of ferrocene ? | The Journal of chemical physics | | | 2000 | 543 | 0 |
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| Theoretical investigation of the adsorption of methanol on the (110) surface of γ-alumina | Journal of molecular structure. Theochem | | | 1999 | 714 | 607 |
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| Binding of Organic Cations to a Cyclophane Host As Studied with Molecular Dynamics Simulations and Free Energy Calculations | The journal of physical chemistry. B | | | 1999 | 725 | 0 |
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| Teaching Computational Chemistry | Encyclopedia of computational chemistry | | | 1998 | 120 | 280 |
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| Solvation Free Energies of Amides and Amines: Disagreement between Free Energy Calculations and Experiment | Journal of the American Chemical Society | | | 1995 | 764 | 0 |
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| Teaching computational chemistry using computers | Chimia | | | 1995 | 588 | 0 |
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| Comparative modelling studies on 3,6-substituted 1,2,4-trioxan-5-ones | Journal of molecular structure. Theochem | | | 1995 | 663 | 398 |
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| The challenge of visualizing microscopic molecular worlds in chemical education | IFIP Transactions; Vol. A-48. Proceedings of the IFIP WG3.2 Working Conference on Visualization in Scientific Computing: Uses in University Education | | | 1994 | 598 | 1 |
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| Chemical reactivity and molecular shape interactions | New data challenges in our information age : Proceedings of 13th International CODATA Conference on New Data Challenges in our Information Age | | | 1994 | 657 | 0 |
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| Computer-aided design of organometallic compounds : a semi-empirical approach of their structure and reactivity | Computers and applied chemistry | | | 1993 | 533 | 4 |
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| Molecular graphics and chemistry | EMI. Educational media international | | | 1992 | 595 | 1 |
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| Molecular graphics investigation of the addition of nucleophiles to (η4:butadiene) M(CO)3 complexes (M=Fe,Co+) | Journal of Molecular Structure (Theochem) | | | 1992 | 526 | 0 |
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| Development and applications of an extended-Hückel-based reactivity index for organometallic complexes | Comments on modern chemistry. Part A, Comments on inorganic chemistry | | | 1992 | 623 | 1 |
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| Computer modeling of the activation processes of the aromatic nucleophilic substitution mechanism | Journal de chimie physique | | | 1992 | 581 | 0 |
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| Recent developments in molecular graphics : visualization of chemical structures and properties | The visual computer | | | 1991 | 680 | 0 |
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| Calculation and visualization of a reactivity index for organometallics based on the extended Hückel model | Journal of molecular structure. Theochem | | | 1991 | 678 | 0 |
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| Modeling of organometallic reactivity using a combination of extended Hueckel and molecular graphics techniques | Studies in physical and theoretical chemistry | | | 1990 | 567 | 0 |
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| Theoretical and ESR/ENDOR single-crystal study of an azaallyl radical | Journal of the American Chemical Society | | | 1988 | 622 | 0 |
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| The modeling of nucleophilic and electrophilic additions to organometallic complexes using molecular graphics techniques | Journal of computer-aided molecular design | | | 1988 | 634 | 0 |
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| Structure and analysis of the binding energy of the copper carbonyl ion (CuCO+) complex: an ab initio study | Journal of molecular structure. Theochem | | | 1988 | 630 | 0 |
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