Author

J.-C. Barthelat

Observed names: BARTHELAT, Jean-Claude, Barthelat Jean-Claude, Barthelat, J.-C., J. C. BARTHELAT, J. C. Barthelat, J.C. Barthelat, J.‐C. BARTHELAT, Jean Claude Barthelat, Jean Claude. Barthelat, Jean-Claude Barthelat, Jean‐Claude Barthelat

Observed institutions: Tunis University, Commonwealth Scientific and Industrial Research Organisation, Centre National de la Recherche Scientifique, Los Alamos National Laboratory, Université Toulouse III - Paul Sabatier, University of Milan, Institut National Polytechnique de Toulouse, École Nationale Supérieure des Ingénieurs en Arts Chimiques et Technologiques, Institut Laue-Langevin, Laboratoire de Chimie de Coordination, Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes, Centre Interuniversitaire de Recherche et d’Ingénierie des Matériaux, Laboratoire de Chimie et Physique Quantiques, Université de Toulouse, Université Henri Poincaré, Synthèse et Physicochimie de Molécules d'Intérêt Biologique, University of York, University of Salford, Tunis El Manar University, Freie Universität Berlin, Universidad de Sevilla, Universidad Nacional Autónoma de México

OpenAlex ID: A5111827351

A theoretical method to determine atomic pseudopotentials for electronic structure calculations of molecules and solids

1975 · Philippe Durand, Jean-Claude Barthelat · Theoretical Chemistry Accounts · 916

Non-empirical pseudopotentials for molecular calculations: I. The PSIBMOL algorithm and test calculations

1977 · J.C. Barthelat, Ph. Durand, et al. · Molecular Physics · 341

Extended gaussian-type valence basis sets for calculations involving non-empirical core pseudopotentials

1988 · Y. Bouteiller, C. Mijoule, et al. · Molecular Physics · 185

X-X direct bonds versus bridged structures in group 13 X2H2 potential energy surfaces

1993 · Gabin Treboux, Jean Claude Barthelat · Journal of the American Chemical Society · 120

Ruthenium Complexes Containing Two Ru−(η 2 -Si−H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies

1999 · Fabien Delpech, Sylviane Sabo-Etienne, et al. · Journal of the American Chemical Society · 108

New atomic pseudopotentials for electronic structure calculations of molecules and solids

1974 · Ph. Durand, J.C. Barthelat · Chemical Physics Letters · 105

Coordination Modes of Boranes in Polyhydride Ruthenium Complexes: σ-Borane versus Dihydridoborate

2005 · Sébastien Lachaize, Khaled Essalah, et al. · Organometallics · 100

Analytical relativistic self-consistent-field calculations for atoms

1980 · J. C. Barthelat, M. Pelissier, et al. · Physical Review A · 95

A Unique Coordination of SiH4: Isolation, Characterization, and Theoretical Study of (PR3)2H2Ru(SiH4)RuH2(PR3)2

2000 · Isabelle Atheaux, Bruno Donnadieu, et al. · Journal of the American Chemical Society · 85

Exchange Processes in Complexes with Two Ruthenium (η2-Silane) Linkages: Role of the Secondary Interactions between Silicon and Hydrogen Atoms

2002 · Isabelle Atheaux, Fabien Delpech, et al. · Organometallics · 81

Non-empirical pseudopotentials for molecular calculations: II. Basis set extension and correlation effects on the X2 molecules (X=F, Cl, Br, I)

1977 · Ch. Teichteil, J.P. Malrieu, et al. · Molecular Physics · 79

Structure and singlet-triplet separation in simple germylenes GeH2, GeF2, and Ge(CH3)2

1980 · Jean Claude Barthelat, Bruno Saint Roch, et al. · Journal of the American Chemical Society · 72

X-Ray structure and theoretical studies of RuH2(η2-H2)(η2-H-SiPh3)(PCy3)2, a complex with two different η2-coordinated σ bonds

1999 · Khansaa Hussein, Colin J. Marsden, et al. · Chemical Communications · 63

Theoretical study of the different coordination modes of copper-carbon dioxide complex

1987 · Rosa. Caballol, Enrique. Sanchez Marcos, et al. · The Journal of Physical Chemistry · 63

Effective Group Potentials. 1. Method

2000 · Romuald Poteau, Ivan Ortega, et al. · The Journal of Physical Chemistry A · 62

Double bonds vs. carbene-like unsaturations in germanium intermediates

1982 · Georges Trinquier, Jean Claude Barthelat, et al. · Journal of the American Chemical Society · 62

Catalytic Isomerization of Cyanoolefins Involved in the Adiponitrile Process. C−CN Bond Cleavage and Structure of the Nickel π-Allyl Cyanide Complex Ni(η 3 -1-Me-C 3 H 4 )(CN)(dppb)

2004 · Alexandra Chaumonnot, Franck Lamy, et al. · Organometallics · 59

Upon the Chemical Origin of Exchange Couplings in d2 Systems

1995 · Sylviane Sabo-Etienne, Bruno Chaudret, et al. · Journal of the American Chemical Society · 58

Theoretical investigations on some C2SiH4 isomers

1979 · Jean Claude Barthelat, Georges Trinquier, et al. · Journal of the American Chemical Society · 58

Density functional calculations of the formation and migration enthalpies of monovacancies in Ni: Comparison of local and nonlocal approaches

2006 · El Hocine Megchiche, Simon Pérusin, et al. · Physical Review B · 57

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Theoretical Studies of the Hydroxide-Catalyzed P−O Cleavage Reactions of Neutral Phosphate Triesters and Diesters in Aqueous Solution: Examination of the Changes Induced by H/Me Substitution

2005 · Nathalie Iché-Tarrat, Jean-Claude Barthelat, et al. · The Journal of Physical Chemistry B · 54

Theoretical calculations on niobium and tantalum trihydride complexes. Relations with the problem of quantum mechanical exchange coupling

1991 · J. C. Barthelat, B. Chaudret, et al. · Journal of the American Chemical Society · 50

Reactivity of Phosphate Monoester Monoanions in Aqueous Solution. 1. Quantum Mechanical Calculations Support the Existence of “Anionic Zwitterion” MeO+(H)PO32- as a Key Intermediate in the Dissociative Hydrolysis of the Methyl Phosphate Anion1

2002 · Marc Bianciotto, Jean-Claude Barthelat, et al. · Journal of the American Chemical Society · 48

Copper atom as a one-electron system: Theoretical study of Cu2 and CuH

1983 · G. H. Jeung, J. C. Barthelat · The Journal of Chemical Physics · 48

Decisive role of π conjugation in the central bond length shortening of butadiene

1980 · J.P. Daudey, G. Trinquier, et al. · Tetrahedron · 48

Works count: 119

Citation count: 4,244

H-index: 36

I10-index: 68