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Marc Benard - Publications

Affiliations: 
Universite de Strasbourg (France) 
Area:
Quantum Chemistry
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86 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2012 Bénard M. Polyoxometalates, metal wires and other “polymetallic” complexes: Structure, properties, theoretical modelling. A tribute to Marie-Madeleine Rohmer Comptes Rendus Chimie. 15: 103-106. DOI: 10.1016/J.Crci.2011.09.005  0.336
2011 Ismayilov RH, Wang WZ, Lee GH, Yeh CY, Hua SA, Song Y, Rohmer MM, Bénard M, Peng SM. Two linear undecanickel mixed-valence complexes: increasing the size and the scope of the electronic properties of nickel metal strings. Angewandte Chemie (International Ed. in English). 50: 2045-8. PMID 21344548 DOI: 10.1002/Anie.201006695  0.403
2011 Ismayilov RH, Wang W, Lee G, Yeh C, Hua S, Song Y, Rohmer M, Bénard M, Peng S. Back Cover: Two Linear Undecanickel Mixed-Valence Complexes: Increasing the Size and the Scope of the Electronic Properties of Nickel Metal Strings (Angew. Chem. Int. Ed. 9/2011) Angewandte Chemie International Edition. 50: 2188-2188. DOI: 10.1002/Anie.201100404  0.34
2011 Ismayilov RH, Wang W, Lee G, Yeh C, Hua S, Song Y, Rohmer M, Bénard M, Peng S. Rücktitelbild: Two Linear Undecanickel Mixed-Valence Complexes: Increasing the Size and the Scope of the Electronic Properties of Nickel Metal Strings (Angew. Chem. 9/2011) Angewandte Chemie. 123: 2236-2236. DOI: 10.1002/Ange.201100404  0.341
2010 Tabookht Z, López X, Bénard M, de Graaf C. Isotropic non-Heisenberg behavior in M3(dpa)4Cl2 extended metal atom chains. The Journal of Physical Chemistry. A. 114: 12291-8. PMID 21028769 DOI: 10.1021/Jp106038W  0.363
2009 Laurencin D, Thouvenot R, Boubekeur K, Villain F, Villanneau R, Rohmer MM, Bénard M, Proust A. Experimental and computational study of the framework fluxionality of organometallic derivatives of polyoxometalates: Analysis of the effect of the metal and of the solvent Organometallics. 28: 3140-3151. DOI: 10.1021/Om8011568  0.358
2009 Labéguerie P, Rohmer MM, Bénard M. DFT Modelling of the Magnetic Coupling in a di- And in a Trinuclear Robson-type Complexes of CuII Journal of the Chinese Chemical Society. 56: 22-25. DOI: 10.1002/Jccs.200900003  0.323
2008 Lemonnier JF, Kachmar A, Floquet S, Marrot J, Rohmer MM, Bénard M, Cadot E. Tuning the thermodynamic stability of oxothiomolybdenum wheels: crystal structures, studies in solution and DFT calculations. Dalton Transactions (Cambridge, England : 2003). 4565-74. PMID 19024355 DOI: 10.1039/B801716F  0.355
2008 Bénard M, Rohmer MM, López X, Theopold KH. A tale of two isomers (continued): is the phenyl hydride complex of chromium more stable than its benzene-bridged isomer? Angewandte Chemie (International Ed. in English). 47: 5597-9. PMID 18563763 DOI: 10.1002/Anie.200801032  0.325
2008 López X, Rohmer MM, Bénard M. DFT modelling of the [M-Pd-M]6+ metal atom chains (M = Ni, Pd): Structural, electronic and magnetic issues Journal of Molecular Structure. 890: 18-23. DOI: 10.1016/J.Molstruc.2007.12.007  0.302
2008 Huang GC, Bénard M, Rohmer MM, Li LA, Chiu MJ, Yeh CY, Lee GH, Peng SM. Ru2M(dpa)4Cl2 (M = Cu, Ni): Synthesis, characterization, and theoretical analysis of asymmetric heterometal string complexes of the dipyridylamide family European Journal of Inorganic Chemistry. 1767-1777. DOI: 10.1002/Ejic.200701159  0.413
2007 Liu IP, Lee GH, Peng SM, Bénard M, Rohmer MM. Cu-Pd-Cu and Cu-Pt-Cu linear frameworks: synthesis, magnetic properties, and theoretical analysis of two mixed-metal complexes of dipyridylamide (dpa), isostructural, and isoelectronic with [Cu3(dpa)4Cl2]+. Inorganic Chemistry. 46: 9602-8. PMID 17929801 DOI: 10.1021/Ic070319L  0.35
2007 Lemonnier JF, Floquet S, Kachmar A, Rohmer MM, Bénard M, Marrot J, Terazzi E, Piguet C, Cadot E. Host-guest adaptability within oxothiomolybdenum wheels: Structures, studies in solution and DFT calculations Dalton Transactions. 3043-3054. PMID 17622422 DOI: 10.1039/B703770H  0.337
2007 Labéguerie P, Bénard M, Rohmer MM. DFT modeling of sandwich complexes involving cationic palladium chains and polyenic or polycyclic aromatic hydrocarbons. Inorganic Chemistry. 46: 5283-91. PMID 17530750 DOI: 10.1021/Ic070315G  0.415
2007 López X, Bénard M, Rohmer MM. Influence of electron-attractor substituents on the magnetic properties of Ni(II) string complexes. Inorganic Chemistry. 46: 5-7. PMID 17198405 DOI: 10.1021/Ic061705Q  0.373
2007 Liu I, Bénard M, Hasanov H, Chen I, Tseng W, Fu M, Rohmer M, Chen C, Lee G, Peng S. Cover Picture: A New Generation of Metal String Complexes: Structure, Magnetism, Spectroscopy, Theoretical Analysis, and Single Molecular Conductance of an Unusual Mixed-Valence Linear [Ni5]8+ Complex (Chem. Eur. J. 31/2007) Chemistry - a European Journal. 13: 8635-8635. DOI: 10.1002/Chem.200790118  0.353
2006 López X, Huang MY, Huang GC, Peng SM, Li FY, Bénard M, Rohmer MM. Even-numbered metal chain complexes: synthesis, characterization, and DFT analysis of [Ni4(mu4-Tsdpda)4(H2O)2] (Tsdpda2- = N-(p-toluenesulfonyl)dipyridyldiamido), [Ni4(mu4-Tsdpda)4]+, and related Ni4 string complexes. Inorganic Chemistry. 45: 9075-84. PMID 17054368 DOI: 10.1021/Ic0612505  0.361
2006 Dolbecq A, Lisnard L, Mialane P, Marrot J, Bénard M, Rohmer MM, Sécheresse F. Synthesis and characterization of octa- and hexanuclear polyoxomolybdate wheels: role of the inorganic template and of the counterion. Inorganic Chemistry. 45: 5898-910. PMID 16841995 DOI: 10.1021/Ic060410+  0.313
2006 López X, Bénard M, Rohmer MM. Linear trimetallic complexes with 24 d electrons: Magnetic interactions in [Ni3]6+ and [Ni-Pd-Ni]6+ dipyridylamide chain complexes from density functional theory Journal of Molecular Structure: Theochem. 777: 53-60. DOI: 10.1016/J.Theochem.2006.08.040  0.369
2005 López X, de Graaf C, Maestre JM, Bénard M, Rohmer MM, Bo C, Poblet JM. Highly Reduced Polyoxometalates:  Ab Initio and DFT Study of [PMo8V4O40(VO)4](5)(.). Journal of Chemical Theory and Computation. 1: 856-61. PMID 26641902 DOI: 10.1021/Ct050040Z  0.372
2005 Siri O, Taquet JP, Collin JP, Rohmer MM, Bénard M, Braunstein P. Tunable charge delocalization in dinickel quinonoid complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 7247-53. PMID 16187375 DOI: 10.1002/Chem.200500283  0.374
2005 Villarroya BE, Tejel C, Rohmer MM, Oro LA, Ciriano MA, Bénard M. Discrete iridium pyridonate chains with variable metal valence: nature and energetics of the Ir-Ir bonding from DFT calculations. Inorganic Chemistry. 44: 6536-44. PMID 16156611 DOI: 10.1021/Ic050419W  0.364
2005 Schuh W, Braunstein P, Bénard M, Rohmer MM, Welter R. Metal "capture" by a heterotrimetalloligand, heterometallic d(10)-d(10) interactions, and unexpected iron-to-platinum silyl ligand migration: a combined experimental and theoretical study. Journal of the American Chemical Society. 127: 10250-8. PMID 16028936 DOI: 10.1021/Ja051389Z  0.351
2005 Rohmer MM, Bénard M. (η-X)2[(μ-S2)M2] complex cores (X = O, S; M = MoV, WV): The syn/anti isomerism revisited by means of DFT calculations Comptes Rendus Chimie. 8: 1093-1100. DOI: 10.1016/J.Crci.2004.10.017  0.359
2004 Braunstein P, Frison C, Oberbeckmann-Winter N, Morise X, Messaoudi A, Bénard M, Rohmer MM, Welter R. An oriented 1D coordination/organometallic dimetallic molecular wire with Ag-Pd metal-metal bonds. Angewandte Chemie (International Ed. in English). 43: 6120-5. PMID 15549755 DOI: 10.1002/Anie.200461291  0.33
2004 Kiehl P, Rohmer MM, Bénard M. Electron delocalization in nickel metallic wires: a DFT investigation of Ni(3)(dpa)(4)Cl(2) and [Ni(3)(dpa)(4)](3+) (dpa = dipyridylamide) and extension to higher nuclearity chains. Inorganic Chemistry. 43: 3151-8. PMID 15132621 DOI: 10.1021/Ic040011J  0.386
2003 Siri O, Braunstein P, Rohmer MM, Bénard M, Welter R. Novel "Potentially antiaromatic", acidichromic quinonediimines with tunable delocalization of their 6 pi-electron subunits. Journal of the American Chemical Society. 125: 13793-803. PMID 14599219 DOI: 10.1021/Ja035463U  0.344
2003 Braunstein P, Siri O, Taquet JP, Rohmer MM, Bénard M, Welter R. A 6 pi + 6 pi potentially antiaromatic zwitterion preferred to a quinoidal structure: its reactivity toward organic and inorganic reagents. Journal of the American Chemical Society. 125: 12246-56. PMID 14519010 DOI: 10.1021/Ja0354622  0.38
2003 Braunstein P, Morise X, Bénard M, Rohmer MM, Welter R. A quasi-covalent metal-metal bond in an early-late heterobimetallic Ti-Pt complex stabilized by phosphinoenolate ligands. Chemical Communications (Cambridge, England). 610-1. PMID 12669849 DOI: 10.1039/B211289M  0.372
2003 Rohmer MM, Bénard M. Metastable states associated with a change in the metal-metal bonding network of (MoV)6 polyoxoanions: A DFT study of [(Mo 2 VO4)3(μ6-CO 3)(μ-CO3)3(μ-OH)3] 5- Journal of the Chemical Society. Dalton Transactions. 3587-3590. DOI: 10.1039/B304119K  0.36
2002 Rohmer MM, Bénard M. DFT analysis of the activation and breaking of the Mo-N bond in a (mu-nitrido)dimolybdenum complex: is molybdenum tris(thiolate) an elusive intermediate? Inorganic Chemistry. 41: 892-900. PMID 11849091 DOI: 10.1021/Ic010543P  0.384
2002 Rohmer MM, Bénard M. Structural versatility in polyoxometalates and in some linear trimetallic complexes: An electronic interpretation Journal of Cluster Science. 13: 333-353. DOI: 10.1023/A:1020546915168  0.411
2001 Benbellat N, Rohmer MM, Bénard M. Electronic origin of the structural versatility in linear trichromium complexes of dipyridylamide. Chemical Communications (Cambridge, England). 2368-9. PMID 12240079 DOI: 10.1039/B106100N  0.342
2001 Taulelle F, Poblet JM, Férey G, Bénard M. Trapping of an activated HF molecule inside a double four-ring unit: a quantum chemical model of the microporous fluorinated gallium phosphate ULM-18. Journal of the American Chemical Society. 123: 111-20. PMID 11273607 DOI: 10.1021/Ja0022167  0.323
2001 Rohmer MM, Bénard M. Bond-stretch isomerism in strained inorganic molecules and in transition metal complexes: A revival? Chemical Society Reviews. 30: 340-354. DOI: 10.1039/B101270N  0.385
2000 Sarasa JP, Poblet JM, Bénard M. M4X4 structures in transition metal chemistry: cubane-like or planar? A DFT study of some clusters containing the M4X4 core (M = Ti, V, Mo; X = N, P, As) Organometallics. 19: 2264-2272. DOI: 10.1021/Om990986P  0.362
2000 Fraņois S, Rohmer MM, Bénard M, Moreland AC, Rauchfuss TB. The N-H···S hydrogen bond in (TACN)2Fe2S6 (TACN = triazacyclononane) and in model systems involving the persulfido moiety: An ab initio and DFT study Journal of the American Chemical Society. 122: 12743-12750. DOI: 10.1021/Ja0011717  0.385
1999 Dolbecq A, Guirauden A, Fourmigué M, Boubekeur K, Batail P, Rohmer MM, Bénard M, Coulon C, Sallé M, Blanchard P. Relative basicities of the oxygen atoms of the Linquist polyoxometalate [Mo6O19]2- and their recognition by hydroxyl groups in radical cation salts based on functionalized tetrathiafulvalene π donors Journal of the Chemical Society - Dalton Transactions. 1241-1248. DOI: 10.1039/A809442J  0.331
1999 Muñoz J, Rohmer M, Bénard M, Bo C, Poblet J. The Structure and Growth Mechanism of Small Titanium Carbide Clusters:  A Competition between C2and C4Carbon Chains The Journal of Physical Chemistry A. 103: 4762-4768. DOI: 10.1021/Jp990742I  0.305
1998 Poblet J, Bénard M. Cuprophilicity, a still elusive concept: a theoretical analysis of the ligand-unsupported CuI–CuI interaction in two recently reported complexes Chemical Communications. 1179-1180. DOI: 10.1039/A801560K  0.344
1998 Rohmer MM, Benard M. Bond stretch isomerism still elusive in linear trimetallic complexes. DFT calculations on Co3(dipyridylamine)4Cl2 [6] Journal of the American Chemical Society. 120: 9372-9373. DOI: 10.1021/Ja981400D  0.355
1998 Rohmer M, Bénard M, Blaudeau J, Maestre J, Poblet J. From Lindqvist and Keggin ions to electronically inverse hosts Coordination Chemistry Reviews. 178: 1019-1049. DOI: 10.1016/S0010-8545(98)00162-3  0.337
1997 Muñoz J, Pujol C, Bo C, Poblet J, Rohmer M, Benard M. DFT Description of Binary Metal Met-Cars TixZryC12(x+y= 8) and of Some Conformers of the M6C12, M7C12, and M8C13Clusters (M = Ti, Zr) The Journal of Physical Chemistry A. 101: 8345-8350. DOI: 10.1021/Jp971829B  0.36
1997 Bodensieck U, Braunstein P, Knorr M, Strampfer M, Bénard M, Strohmann C. Conformation Control in Polymetallic Mesocycles by Metal–Metal Bonding: The First Example of an HgCu Interaction Angewandte Chemie International Edition in English. 36: 2758-2761. DOI: 10.1002/Anie.199727581  0.388
1996 Bo C, Costas M, Poblet JM, Rohmer MM, Benard M. Electronic Structure of Rh(2)(&mgr;-CO)(CO)(2)(H(2)PCH(2)PH(2))(2). An Example of a Non-A-Frame Structure. Inorganic Chemistry. 35: 3298-3306. PMID 11666532 DOI: 10.1021/Ic9505256  0.416
1996 Rohmer MM, Devemy J, Wiest R, Benard M. Ab initio modeling of the endohedral reactivity of polyoxometallates: 1. Host-guest interactions in [RCNc(V12O32)4-] (R=H, CH3, C6H5) Journal of the American Chemical Society. 118: 13007-13014. DOI: 10.1021/Ja962259G  0.313
1996 Espinosa E, Lecomte C, Ghermani NE, Devémy J, Rohmer MM, Bénard M, Molins E. Hydrogen bonds: First quantitative agreement between electrostatic potential calculations from experimental X-(X + N) and theoretical ab initio SCF models Journal of the American Chemical Society. 118: 2501-2502. DOI: 10.1021/Ja953193C  0.308
1996 Bénard M. Computed electrostatic potentials in molecules, clusters, solids and biosystems containing transition metals Theoretical and Computational Chemistry. 3: 457-508. DOI: 10.1016/S1380-7323(96)80051-3  0.372
1996 Poblet J, Bo C, Rohmer M, Bénard M. Ab initio SCF and DFT models of met-car adducts: Ti8C12(L)n (L = Cl, NH3, CO, C6H6; n = 4, 8) Chemical Physics Letters. 260: 577-581. DOI: 10.1016/0009-2614(96)00918-9  0.399
1995 Sarasa JP, Poblet J, Rohmer M, Benard M. [(.eta.-C5H5)M]4O6 (M = Nb, V): Ab Initio Calculations Predict Equivalent Metal Atoms in a Rectangular Conformation Organometallics. 14: 5665-5669. DOI: 10.1021/Om00012A036  0.334
1995 Costas M, Poblet JM, Rohmer MM, Bénard M. Trioxorhenium and trioxotechnetium as strong acceptor groups. 3. Charge transfer and bonding energetics in O3M-M(CO)5 (M = Re,Tc) Inorganic Chemistry. 34: 176-183. DOI: 10.1021/Ic00105A030  0.304
1994 Blaudeau J, Ross RB, Pitzer RM, Mougenot P, Benard M. Ab Initio Calculations of Dirhenium Complexes Using Relativistic Effective Core Potentials The Journal of Physical Chemistry. 98: 7123-7127. DOI: 10.1021/J100080A005  0.336
1994 Wiest R, Pichon-Pesme V, Benard M, Lecomte C. Electron distributions in peptides and related molecules. Experimental and theoretical study of Leu-enkephalin trihydrate The Journal of Physical Chemistry. 98: 1351-1362. DOI: 10.1021/J100055A050  0.316
1993 Rohmer MM, Bénard M, Henriet C, Bo C, Poblet JM. Ti8C12: A polytopal molecule with 36 Ti-C bonds Journal of the Chemical Society, Chemical Communications. 1182-1185. DOI: 10.1039/C39930001182  0.335
1992 Benard M, Rohmer MM. 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 Journal of the American Chemical Society. 114: 4785-4790. DOI: 10.1021/Ja00038A050  0.392
1992 Wiest R, Leininger T, Jeung GH, Benard M. Trioxorhenium as a strong acceptor group: ab initio CI investigations on the Re-L bonding in L-ReO3 complexes (L = C5H5, CH3, Cl, F, CF3) The Journal of Physical Chemistry. 96: 10800-10804. DOI: 10.1021/J100205A039  0.382
1992 Costas M, Leininger T, Jeung GH, Benard M. Electronic structure and bonding energetics of a complex undergoing intramolecular disproportionation: Ab initio two-configuration SCF and CI investigation on dichlorobis(diphosphinomethane)trioxodirhenium Inorganic Chemistry. 31: 3317-3321. DOI: 10.1021/Ic00041A029  0.378
1991 Rohmer MM, Benard M. Superlong metal-metal single bonds in bimetallic complexes of zirconium(III): extended Hueckel and ab initio SCF-CI study Organometallics. 10: 157-163. DOI: 10.1021/Om00047A043  0.358
1991 Poumbga C, Daniel C, Benard M. Metal-metal coupling and metal-ligand interactions in four binuclear complexes of vanadium(I), -(II), and -(III). An ab initio CI study Journal of the American Chemical Society. 113: 1090-1102. DOI: 10.1021/Ja00004A006  0.348
1991 Trinquier G, Dartiguenave M, Dartiguenave Y, Benard M. Ni2Cl2[C(SiMe3)(PMe3)]2, containing a very short nickel-nickel distance with little metal-metal bonding character: possible synergy of electronic and steric factors Inorganic Chemistry. 30: 4490-4497. DOI: 10.1021/Ic00024A006  0.358
1990 Rohmer MM, Grand A, Benard M. The metal-nitroxyl interaction MNO metallacycles (M = copper, palladium). An ab initio SCF/CI study Journal of the American Chemical Society. 112: 2875-2881. DOI: 10.1021/Ja00164A005  0.325
1990 Poumbga C, Daniel C, Benard M. The vanadium-vanadium double bond in bis(butanediyl)bis(cyclopentadienyl)divanadium: an antiferromagnetic coupling. An ab initio SCF/CI study Inorganic Chemistry. 29: 2387-2389. DOI: 10.1021/Ic00337A038  0.419
1990 Bo C, Poblet JM, Bénard M. Laplacian of charge density for binuclear complexes: The metal-metal bond in the Rh24+ unit Chemical Physics Letters. 169: 89-96. DOI: 10.1016/0009-2614(90)85171-8  0.378
1990 Rohmer MM, Grand A, Benard M. The metal-nitroxyl interaction in MNO metallacycles (M = Cu, Pd). An ab initio SCF/CI study Journal of the American Chemical Society. 112: 2875-2881. DOI: 10.1007/978-1-4615-3700-7_28  0.412
1988 Mougenot P, Demuynck J, Benard M, Bauschlicher CW. Metal-metal bonding in (C5H5V)2C8H8: A new interpretation of ab initio results Journal of the American Chemical Society. 110: 4503-4505. DOI: 10.1021/Ja00222A003  0.367
1988 Poblet JM, Benard M. 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) Inorganic Chemistry. 27: 2935-2941. DOI: 10.1021/Ic00290A009  0.318
1988 Ernenwein R, Benard M, Shavitt I. Vectorizing a sequence of conditional branches: The calculation of the class index of two-electron repulsion integrals on cray computers Computer Physics Communications. 48: 175-180. DOI: 10.1016/0010-4655(88)90038-0  0.303
1987 Granozzi G, Mougenot P, Demuynck J, Benard M. UV photoelectron spectrum and electronic structure of bis(.eta.5-cyclopentadienyl)di-.mu.-nitrosyldiiron: an interpretation by means of ab initio CI calculations Inorganic Chemistry. 26: 2588-2594. DOI: 10.1021/Ic00263A008  0.341
1987 Mougenot P, Demuynck J, Bénard M. Rh2(O2CR)4(H2O)+ 2: theoretical confirmation of the σ2π4δ2δ{black star}2π{black star}3 ground state Chemical Physics Letters. 136: 279-282. DOI: 10.1016/0009-2614(87)80251-8  0.354
1986 Bertoncello R, Granozzi G, Čàrsky P, Wiest R, Bénard M. The photoelectron spectrum of hexacarbonyl-µ-di-t-butylacetylene-di-iron: a joint experimental and theoretical study Journal of the Chemical Society-Dalton Transactions. 2581-2585. DOI: 10.1039/Dt9860002581  0.382
1986 Baert F, Guelzim A, Poblet JM, Wiest R, Demuynck J, Bénard M. Dynamic, static, and theoretical electron deformation density for binuclear transition-metal complexes: Dicobalt hexacarbonyl acetylene Inorganic Chemistry. 25: 1830-1841. DOI: 10.1021/Ic00231A024  0.355
1986 Poblet JM, Strich A, Wiest R, Bénard M. The metal-carbon triple bond in Cl(Co)4crCH: A CAS SCF study of neutral carbyne complexes Chemical Physics Letters. 126: 169-175. DOI: 10.1016/S0009-2614(86)80033-1  0.386
1985 Wiest R, Strich A, Demuynck J, Bénard M, Siegbahn PEM. 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. DOI: 10.1016/0009-2614(85)87245-6  0.352
1985 Bénard M, Wiest R. Single excitations on multideterminantal CI wavefunctions: A treatment of the left—right correlation in multiple metal—metal bonds. Theory Chemical Physics Letters. 122: 447-452. DOI: 10.1016/0009-2614(85)87244-4  0.311
1984 Wiest R, Benard M. 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 Theoretical Chemistry Accounts. 66: 65-75. DOI: 10.1007/Bf00577140  0.329
1983 Wiest R, Benard M. The CrCr quadruple bond length: Ab initio study of ligand effects Chemical Physics Letters. 98: 102-107. DOI: 10.1016/0009-2614(83)87106-1  0.32
1982 Mitschler A, Rees B, Wiest R, Benard M. Electron deformation density for the "supershort" chromium-chromium quadruple bond: a joint experimental and theoretical study Journal of the American Chemical Society. 104: 7501-7509. DOI: 10.1021/Ja00390A019  0.315
1979 Benard M. Molecular orbital analysis of the metal-metal interaction in some carbonyl-bridged binuclear complexes Inorganic Chemistry. 11: 2782-2785. DOI: 10.1021/Ic50200A029  0.358
1978 Benard M. A theoretical study of the metal-metal interaction in binuclear complexes of transition groups 6 and 7 Journal of the American Chemical Society. 100: 2354-2362. DOI: 10.1021/Ja00476A015  0.331
1978 Benard M. A theoretical study of the metal-metal interaction in binuclear complexes of transition groups 6 and 7 Cheminform. 9. DOI: 10.1002/Chin.197831075  0.331
1973 Benard M, Julg A. Détermination des Orbitales Moléculaires par Minimisation Directe de L'Energie de L'Etat Fondamental et des Etats Excités des Molécules International Journal of Quantum Chemistry. 7: 945-950. DOI: 10.1002/Qua.560070509  0.592
1972 Benard M, Julg A. Calcul théorique de l’énergie de résonance de quelques hydrocarbures et autres molécules conjuguées Journal of Computers. 69: 337-341. DOI: 10.1051/Jcp/1972690337  0.594
1971 Pellegatti A, Pieribattesti J, Bénard M. Étude théorique de molécules halogénées - Les chloroéthylènes Journal of Computers. 68: 1708-1714. DOI: 10.1051/Jcp/1971681708  0.321
1971 Roche M, D'amato F, Benard M. Structure électronique π de l'Isoxazole, de l'oxazole et des oxadiazoles Journal of Molecular Structure. 9: 183-189. DOI: 10.1016/0022-2860(71)85019-6  0.326
1970 Bénard M, Julg A. Étude théorique de l'absorption triplet-triplet des hydrocarbures Journal of Computers. 67: 1297-1311. DOI: 10.1051/Jcp/1970671297  0.578
1970 Benard M, Julg A. Theoretische Untersuchung Der Triplett‐Triplett‐Absorption Von Kohlenwasserstoffen Cheminform. 1. DOI: 10.1002/Chin.197052129  0.559
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