PM
| Title | Published in | Access level | OA Policy | Year | Views | Downloads | |
|---|---|---|---|---|---|---|---|
| Optimizing Millisecond Time Scale Near-Infrared Emission in Polynuclear Chrome(III)–Lanthanide(III) Complexes | Journal of the American Chemical Society | 2012 | 783 | 2 | |||
| Thermodynamics, Structure and Properties of Polynuclear Lanthanide Complexes with a Tripodal Ligand: Insight into their Self-Assembly | Chemistry | 2011 | 866 | 1 | |||
| What governs nitrogen configuration in substituted aminophosphines? | Journal of physical organic chemistry | 2009 | 804 | 551 | |||
| Tuning the polarization along linear polyaromatic strands for rationally inducing mesomorphism in lanthanide nitrate complexes | Chemistry | 2007 | 658 | 561 | |||
| Unusual regio- and enantioselective [1,2]-Stevens rearrangement of a spirobi[dibenzazepinium] cation | Synlett | 2004 | 653 | 0 | |||
| Tuning facial-meridional isomerisation in monometallic nine-coordinate lanthanide complexes with unsymmetrical tridentate ligands | Dalton transactions | 2004 | 649 | 0 | |||
| Connecting Terminal Carboxylate Groups in Nine-Coordinate Lanthanide Podates: Consequences on the Thermodynamic, Structural, Electronic, and Photophysical Properties | Inorganic chemistry | 2003 | 721 | 0 | |||
| The solution structure of homotrimetallic lanthanide helicates investigated with novel model-free multi-centre paramagnetic NMR methods | Dalton transactions | 2003 | 697 | 0 | |||
| Density Functional Study of a Helical Organic Cation | Chimia | 2003 | 676 | 0 | |||
| Aromatic bent-core liquid crystals : an opportunity for introducing terdentate binding units into mesophases | Chemistry of materials | 2002 | 779 | 0 | |||
| 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 | 713 | 0 | |||
| Intermolecular interaction energies from the total energy bi-functional. A case study of carbazole complexes | The Journal of chemical physics | 2002 | 716 | 0 | |||
| 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 | 618 | 0 | |||
| 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 | 536 | 0 | |||
| Theoretical investigation of the adsorption of methanol on the (110) surface of γ-alumina | Journal of molecular structure. Theochem | 1999 | 708 | 567 | |||
| 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 | 718 | 0 | |||
| Teaching Computational Chemistry | Encyclopedia of computational chemistry | 1998 | 114 | 204 | |||
| Solvation Free Energies of Amides and Amines: Disagreement between Free Energy Calculations and Experiment | Journal of the American Chemical Society | 1995 | 759 | 0 | |||
| Teaching computational chemistry using computers | Chimia | 1995 | 583 | 0 | |||
| Comparative modelling studies on 3,6-substituted 1,2,4-trioxan-5-ones | Journal of molecular structure. Theochem | 1995 | 658 | 374 | |||
| 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 | 591 | 1 | |||
| 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 | 651 | 0 | |||
| Computer-aided design of organometallic compounds : a semi-empirical approach of their structure and reactivity | Computers and applied chemistry | 1993 | 525 | 4 | |||
| Molecular graphics and chemistry | EMI. Educational media international | 1992 | 589 | 1 | |||
| Molecular graphics investigation of the addition of nucleophiles to (η4:butadiene) M(CO)3 complexes (M=Fe,Co+) | Journal of Molecular Structure (Theochem) | 1992 | 521 | 0 | |||
| Development and applications of an extended-Hückel-based reactivity index for organometallic complexes | Comments on modern chemistry. Part A, Comments on inorganic chemistry | 1992 | 618 | 1 | |||
| Computer modeling of the activation processes of the aromatic nucleophilic substitution mechanism | Journal de chimie physique | 1992 | 574 | 0 | |||
| Recent developments in molecular graphics : visualization of chemical structures and properties | The visual computer | 1991 | 673 | 0 | |||
| Calculation and visualization of a reactivity index for organometallics based on the extended Hückel model | Journal of molecular structure. Theochem | 1991 | 672 | 0 | |||
| Modeling of organometallic reactivity using a combination of extended Hueckel and molecular graphics techniques | Studies in physical and theoretical chemistry | 1990 | 562 | 0 | |||
| Theoretical and ESR/ENDOR single-crystal study of an azaallyl radical | Journal of the American Chemical Society | 1988 | 616 | 0 | |||
| The modeling of nucleophilic and electrophilic additions to organometallic complexes using molecular graphics techniques | Journal of computer-aided molecular design | 1988 | 626 | 0 | |||
| Structure and analysis of the binding energy of the copper carbonyl ion (CuCO+) complex: an ab initio study | Journal of molecular structure. Theochem | 1988 | 626 | 0 |
