Jean Demuynck, PhD

Affiliations: 
Universite de Strasbourg (France) 
Area:
Quantum Chemistry
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"Jean Demuynck"
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Publications

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Wiest R, Demuynck J, Bénard M, et al. (1991) A program system for ab initio MO calculations on vector and parallel processing machines. III. Integral reordering and four-index transformation Computer Physics Communications. 62: 107-124
Rohmer MM, Demuynck J, Bénard M, et al. (1990) A program system for ab initio MO calculations on vector and parallel processing machines. II. SCF closed-shell and open-shell iterations Computer Physics Communications. 60: 127-144
Mougenot P, Demuynck J, Benard M, et al. (1988) Metal-metal bonding in (C5H5V)2C8H8: A new interpretation of ab initio results Journal of the American Chemical Society. 110: 4503-4505
Mougenot P, Demuynck J, Bénard M. (1988) Symmetry dilemma and singlet instability for μ-(NO)2[Fe(C5H5)]2: A molecule with an artificial saddle point and two distinct local minima on the restricted Hartree-Fock potential surface Journal of Physical Chemistry. 92: 571-576
Mougenot P, Demuynck J, Bénard M. (1987) Rh2(O2CR)4(H2O)+ 2: theoretical confirmation of the σ2π4δ2δ{black star}2π{black star}3 ground state Chemical Physics Letters. 136: 279-282
Demuynck J, Mougenot P, Benard M. (1987) A triplet ground state for the planar conformation of (μ-NO)2[Co(η5-C5H5)] 2? Journal of the American Chemical Society. 109: 2265-2267
Granozzi G, Mougenot P, Demuynck J, et al. (1987) UV photoelectron spectrum and electronic structure of {Fe(η5-C5H5)(μ-NO)}2: An interpretation by means of ab initio CI calculations Inorganic Chemistry. 26: 2588-2594
Baert F, Guelzim A, Poblet JM, et al. (1986) Dynamic, static, and theoretical electron deformation density for binuclear transition-metal complexes: Dicobalt hexacarbonyl acetylene Inorganic Chemistry. 25: 1830-1841
Wiest R, Strich A, Demuynck J, et al. (1985) Single excitations on multideterminantal CI wavefunctions: A treatment of the left-right correlation in multiple metal-metal bonds. Application to Cr2H6 Chemical Physics Letters. 122: 453-458
Demuynck J, Rohmer MM, Strich A, et al. (1981) Bulk properties or not: The electronic structure of small metal clusters The Journal of Chemical Physics. 75: 3443-3453
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