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Marc Benard

Veröffentlichungen von Marc Benard zu Rohmer, Marie M.. ->
weitere Veröffentlichungen von Marc Benard:
Molecular orbital analysis of the metal-metal interaction in some carbonyl-bridged binuclear complexes (1979)
Ab initio configuration interaction study of the metal-metal coupling in some zirconium(III) and titanium(III) dimers. Evidence for a superlong Zr-Zr bond in [Cp2Zr(.mu.-PR2)]2 and related complexes (1992)
A theoretical study of the metal-metal interaction in binuclear complexes of transition groups 6 and 7 (1978)
Diversity in the Electronic Structures of Metallocarbohedrenes: Ab Initio Study of M8C12 (M = Ti, V, Zr, Nb) and Ti4M'4C12 (M' = V, Zr) (1995)
ab-initio-Berechnung der Elektronen-Deformationsdichten in Porphyrinen (1982)
Ab initio calculation of deformation densities in porphyrins (1982)
ab initio Calculation of Deformation Densities in Porphyrins (1982)
A short CI expansion for a symmetry-adapted description of localized hole states: Application to the 3dσu hole state of the Cu2 + ion (1982)
Localization vs delocalization of the odd electron in nonsymmetric dirhodium(2+) complexes: an ab initio SCF/CI study of [Rh2(tcl)4]+ and [Rh2(tcl)4CO]+ (tcl = .omega.-thiocaprolactamate) (1988)
An Interpretation of the Structure of the Inclusion Complexes [RCN.cntnd.(V12O32)4-] (R = CH3, C6H5) from Electrostatic Potentials (1994)
Superlong metal-metal single bonds in bimetallic complexes of zirconium(III): extended Hueckel and ab initio SCF-CI study (1991)
Quantum chemistry without diagonalization: An extension of the Lanczos method to molecules and solids (1991)
Détermination des Orbitales Moléculaires par Minimisation Directe de L'Energie de L'Etat Fondamental et des Etats Excités des MoléculesCe travail a fait l'objet d'une communication orale préliminaire au IV Colloque des Chimistes Théoriciens d'expression latine, Cortona (Italie), Septembre 1972. (1973)
The ground state of MoCr(O2CH)4 at theab initio SCF and CI levels. A symmetry adapted RHF energy functional with an artificial double minimum (1984)
The vanadium-vanadium double bond in bis(butanediyl)bis(cyclopentadienyl)divanadium: an antiferromagnetic coupling. An ab initio SCF/CI study (1990)
Veröffentlichungen zu Rohmer, Marie M..
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1
Rohmer, Marie M.. Ab initio MO-SCF study of ethylene episulfide, episulfoxide, and episulfone
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 97, No. 8 (1975), p. 2025-2030
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1975
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Rohmer, Marie-Madeleine. Ab Initio SCF and CI Investigations on Titanium-Carbon Clusters: Metallocarbohedrenes Ti8C12 and Cfc Crystallites Ti14C13
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 117, No. 1 (1995), p. 508-517
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1995
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3
Dedieu, Alain. Binding of dioxygen to metal complexes. The oxygen adduct of Co(acacen)
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 98, No. 19 (1976), p. 5789-5800
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1976
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4
Costas, Miquel. Trioxorhenium and Trioxotechnetium as Strong Acceptor Groups. 3. Charge Transfer and Bonding Energetics in O3M-M(CO)5 (M = Re,Tc)
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 34, No. 1 (1995), p. 176-183
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1995
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5
Benard, Marc. Diversity in the Electronic Structures of Metallocarbohedrenes: Ab Initio Study of M8C12 (M = Ti, V, Zr, Nb) and Ti4M'4C12 (M' = V, Zr)
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 99, No. 46 (1995), p. 16913-16924
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1995
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6
Sarasa, Jose Pedro. [(.eta.-C5H5)M]4O6 (M = Nb, V): Ab Initio Calculations Predict Equivalent Metal Atoms in a Rectangular Conformation
In: Organometallics. - Washington, DC : ACS Publ., ISSN 1520-6041, Vol. 14, No. 12 (1995), p. 5665-5669
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1995
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7
Fetzer, Sharon M.., Lebreton, Pierre R.., ... Valence ionization potentials of anionic phosphate esters: An ab initio quantum mechanical study
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 65 (6. 1997), p. 1095-1106
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1997