Jacques Weber

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A comparison of ground- and excited-state properties of [Ru(bz)2]2+ and bis(6-benzene)ruthenium(II) p-toluenesulfonate using the density functional theory

Andreas Hauser, François Gilardoni, Jacques Weber, 1999, J. Comput. Chem..

Molecular graphics modeling of organometallic reactivity

Jacques Weber, Pierre-Yves Morgantini, Peter F. Flükiger, 1989, Comput. Graph..

The Challenge of Visualizing Microscopic Molecular Worlds in Chemical Education

Jacques Weber, Pierre-Yves Morgantini, Peter F. Flükiger, 1993, University Education Uses of Visualization in Scientific Computing.

Structural investigations and modeling of cavities in clathrates

Jacques Weber, Li Pang, Edwin A. C. Lucken, 1991, J. Comput. Aided Mol. Des..

The eigenvalue problem in configuration inteaction calculations: A computer program. based on a new derivation of the algorithm of Davidson

Jacques Weber, Gerhard Wanner, Roger Lacroix, 1980, Computers and Chemistry.

Teaching Computational Chemistry

Jacques Weber, Pierre-Yves Morgantini, Hans Peter Lüthi, 2002 .

Teaching Computational Chemistry Using Computers

Jacques Weber, Pierre-Yves Morgantini, J. Weber, 1995, CHIMIA.

Physical Chemistry at the University of Geneva.

Jacques Weber, Hans Hagemann, Laura Gagliardi, 2009, Chimia.

3D Images of Molecular Properties by Triangulation of Contour Lines

Christian Pellegrini, Jacques Weber, Michel Roch, 1988, Comput. Graph. Forum.

Computer graphics in chemical education and research

Michel Roch, Jacques Weber, 1987, Comput. Graph..

A QSAR Study of the Antimalarial Activity of Some Synthetic 1, 2, 4-Trioxanes

Jean M. J. Tronchet, Jacques Weber, Martin G. Grigorov, 1997, J. Chem. Inf. Comput. Sci..

Interactive Computer Graphics Applied to Chemistry: Experiences and New Developments

Michel Roch, Jacques Weber, J. J. Combremont, 1983, Comput. Graph. Forum.

Correlating the Molecular Electrostatic Potentials of Some Organic Peroxides with Their Antimalarial Activities

Jean M. J. Tronchet, Jacques Weber, Hans Peter Lüthi, 2000, J. Chem. Inf. Comput. Sci..

Molecular graphics and chemistry

Jacques Weber, Pierre-Yves Morgantini, Peter Fluekiger, 1992 .

Recent Developments in Molecular Graphics

Jacques Weber, Pierre-Yves Morgantini, Peter F. Flükiger, 1988, Visualisierungstechniken und Algorithmen.

Agent-Based Modelling and Simulation Applied to Environmental Management

François Bousquet, Christophe Le Page, François Bousquet, 2017, Simulating Social Complexity.

The modelling of nucleophilic and electrophilic additions to organometallic complexes using molecular graphics techniques

Jacques Weber, Claude Daul, Pierre-Yves Morgantini, 1988, J. Comput. Aided Mol. Des..

Structure-activity relationship between the 3D distribution of the electrophilicity of sugar derivatives and their cytotoxic and antiviral properties

Jean M. J. Tronchet, Jacques Weber, Alessandra Ricca, 1992, J. Comput. Aided Mol. Des..

Recent developments in molecular graphics: visualization of chemical structures and properties

Jacques Weber, Pierre-Yves Morgantini, Peter F. Flükiger, 2005, The Visual Computer.

Modeling of N2 and O2 adsorption in zeolites

Jacques Weber, Annick Goursot, Imre Pápai, 1995 .

A QSAR study confirming the heterogeneity of the HEPT derivative series regarding their interaction with HIV reverse transcriptase

Jacques Weber, M. Grigorov, J. Tronchet, 1997 .

Dynamic Representation of Quantum Chemical Results Using Computer-Graphics - Molecular-Rearrangements, Art or Science

Michel Roch, Jacques Weber, Pierre-Alain Carrupt, 1983 .

Computer graphics applications of electron deformation densities and electrostatic potentials in coordination chemistry

Jacques Weber, J. Weber, M Roch, 1986 .

DFT calculations of the binding energy of metallocenes

Jacques Weber, J. Weber, María J. Mayor-López, 1997 .

Accuracy of approximate kinetic energy functionals in the model of Kohn–Sham equations with constrained electron density: The FH⋅⋅⋅NCH complex as a test case

Jacques Weber, Tomasz Adam Wesolowski, Henry Chermette, 1996 .

Kohn-Sham equations with constrained electron density: an iterative evaluation of the ground-state electron density of interacting molecules

Jacques Weber, Tomasz Adam Wesolowski, T. Wesołowski, 1996 .

Numerical evaluation of the internal orbitally resolved chemical hardness tensor: Second order chemical reactivity through thermal density functional theory

Jacques Weber, Henry Chermette, M. Grigorov, 1998 .

Dynamic molecular modeling. The case of rearranging polycyclic C8H9 cations

Jacques Weber, Charles W. Jefford, Jiri Mareda, 1984 .

Computer-Aided Molecular Design: Theory and Applications

Jacques Weber, Jean-Pierre Doucet, J. Doucet, 1996 .

Comparative Study of Benzene···X (X = O2, N2, CO) Complexes Using Density Functional Theory: The Importance of an Accurate Exchange−Correlation Energy Density at High Reduced Density Gradients

Jacques Weber, Olivier Parisel, Tomasz Adam Wesolowski, 1997 .

Physisorption of Molecular Hydrogen on Polycyclic Aromatic Hydrocarbons: A Theoretical Study

Jacques Weber, Tomasz Adam Wesolowski, Fabien Tran, 2002 .

Electronic structure of metallocene compounds. 3. Comparison of the results of multiple-scattering X.alpha. calculations with various electronic observables of cobaltocene

Jacques Weber, Annick Goursot, J. Bachmann, 1982 .