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Title Published in Access level OA Policy Year Views Downloads
Optimizing Millisecond Time Scale Near-Infrared Emission in Polynuclear Chrome(III)–Lanthanide(III) ComplexesJournal of the American Chemical Society
accessLevelRestricted
2012 672 2
Thermodynamics, Structure and Properties of Polynuclear Lanthanide Complexes with a Tripodal Ligand: Insight into their Self-AssemblyChemistry
accessLevelRestricted
2011 706 1
What governs nitrogen configuration in substituted aminophosphines?Journal of physical organic chemistry
accessLevelPublic
2009 674 409
Tuning the polarization along linear polyaromatic strands for rationally inducing mesomorphism in lanthanide nitrate complexesChemistry
accessLevelPublic
2007 573 455
Unusual regio- and enantioselective [1,2]-Stevens rearrangement of a spirobi[dibenzazepinium] cationSynlett
2004 566 0
Tuning facial-meridional isomerisation in monometallic nine-coordinate lanthanide complexes with unsymmetrical tridentate ligandsDalton transactions
2004 583 0
Connecting Terminal Carboxylate Groups in Nine-Coordinate Lanthanide Podates: Consequences on the Thermodynamic, Structural, Electronic, and Photophysical PropertiesInorganic chemistry
2003 642 0
The solution structure of homotrimetallic lanthanide helicates investigated with novel model-free multi-centre paramagnetic NMR methodsDalton transactions
2003 601 0
Density Functional Study of a Helical Organic CationChimia
2003 591 0
Aromatic bent-core liquid crystals : an opportunity for introducing terdentate binding units into mesophasesChemistry of materials
accessLevelRestricted
2002 686 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 laterInorganic chemistry
2002 619 0
Intermolecular interaction energies from the total energy bi-functional. A case study of carbazole complexesThe Journal of chemical physics
2002 623 0
How much correlation can we expect to account for in density functional calculations ? Case studies of electrostatic properties of small moleculesStrategies and Applications in Quantum Chemistry. Vol. 14
accessLevelRestricted
2002 498 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 475 0
Theoretical investigation of the adsorption of methanol on the (110) surface of γ-aluminaJournal of molecular structure. Theochem
accessLevelPublic
1999 607 463
Binding of Organic Cations to a Cyclophane Host As Studied with Molecular Dynamics Simulations and Free Energy CalculationsThe journal of physical chemistry. B
1999 564 0
Teaching Computational ChemistryEncyclopedia of computational chemistry
accessLevelPublic
1998 79 95
Solvation Free Energies of Amides and Amines: Disagreement between Free Energy Calculations and ExperimentJournal of the American Chemical Society
1995 639 0
Teaching computational chemistry using computersChimia
1995 502 0
Comparative modelling studies on 3,6-substituted 1,2,4-trioxan-5-onesJournal of molecular structure. Theochem
accessLevelPublic
1995 583 310
The challenge of visualizing microscopic molecular worlds in chemical educationIFIP Transactions; Vol. A-48. Proceedings of the IFIP WG3.2 Working Conference on Visualization in Scientific Computing: Uses in University Education
accessLevelRestricted
1994 531 1
Chemical reactivity and molecular shape interactionsNew data challenges in our information age : Proceedings of 13th International CODATA Conference on New Data Challenges in our Information Age
1994 589 0
Computer-aided design of organometallic compounds : a semi-empirical approach of their structure and reactivityComputers and applied chemistry
accessLevelRestricted
1993 480 4
Molecular graphics and chemistryEMI. Educational media international
accessLevelRestricted
1992 526 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 472 0
Development and applications of an extended-Hückel-based reactivity index for organometallic complexesComments on modern chemistry. Part A, Comments on inorganic chemistry
accessLevelRestricted
1992 543 1
Computer modeling of the activation processes of the aromatic nucleophilic substitution mechanismJournal de chimie physique
1992 517 0
Recent developments in molecular graphics : visualization of chemical structures and propertiesThe visual computer
1991 618 0
Calculation and visualization of a reactivity index for organometallics based on the extended Hückel modelJournal of molecular structure. Theochem
1991 609 0
Modeling of organometallic reactivity using a combination of extended Hueckel and molecular graphics techniquesStudies in physical and theoretical chemistry
accessLevelRestricted
1990 504 0
Theoretical and ESR/ENDOR single-crystal study of an azaallyl radicalJournal of the American Chemical Society
accessLevelRestricted
1988 523 0
The modeling of nucleophilic and electrophilic additions to organometallic complexes using molecular graphics techniquesJournal of computer-aided molecular design
1988 565 0
Structure and analysis of the binding energy of the copper carbonyl ion (CuCO+) complex: an ab initio studyJournal of molecular structure. Theochem
1988 566 0
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