Bénard M - Search Results

1

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.

Kiehl P, Rohmer MM, Bénard M. Kiehl P, et al. Among authors: benard m. Inorg Chem. 2004 May 17;43(10):3151-8. doi: 10.1021/ic040011j. Inorg Chem. 2004. PMID: 15132621

2

Why Are [Cu(8)Te(12)](4)(-) Cage Clusters and Metallocarbohedrenes M(8)C(12) Topologically Different? An ab Initio SCF Study.

Poblet JM, Rohmer MM, Bénard M. Poblet JM, et al. Among authors: benard m. Inorg Chem. 1996 Jun 19;35(13):4073-4075. doi: 10.1021/ic960085y. Inorg Chem. 1996. PMID: 11666608 No abstract available.

3

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?

Rohmer MM, Bénard M. Rohmer MM, et al. Among authors: benard m. Inorg Chem. 2002 Feb 25;41(4):892-900. doi: 10.1021/ic010543p. Inorg Chem. 2002. PMID: 11849091

4

Discrete iridium pyridonate chains with variable metal valence: nature and energetics of the Ir-Ir bonding from DFT calculations.

Villarroya BE, Tejel C, Rohmer MM, Oro LA, Ciriano MA, Bénard M. Villarroya BE, et al. Among authors: benard m. Inorg Chem. 2005 Sep 19;44(19):6536-44. doi: 10.1021/ic050419w. Inorg Chem. 2005. PMID: 16156611

5

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.

López X, Huang MY, Huang GC, Peng SM, Li FY, Bénard M, Rohmer MM. López X, et al. Among authors: benard m. Inorg Chem. 2006 Oct 30;45(22):9075-84. doi: 10.1021/ic0612505. Inorg Chem. 2006. PMID: 17054368

6

Influence of electron-attractor substituents on the magnetic properties of Ni(II) string complexes.

López X, Bénard M, Rohmer MM. López X, et al. Among authors: benard m. Inorg Chem. 2007 Jan 8;46(1):5-7. doi: 10.1021/ic061705q. Inorg Chem. 2007. PMID: 17198405

7

DFT modeling of sandwich complexes involving cationic palladium chains and polyenic or polycyclic aromatic hydrocarbons.

Labéguerie P, Bénard M, Rohmer MM. Labéguerie P, et al. Among authors: benard m. Inorg Chem. 2007 Jun 25;46(13):5283-91. doi: 10.1021/ic070315g. Epub 2007 May 26. Inorg Chem. 2007. PMID: 17530750

8

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]+.

Liu IP, Lee GH, Peng SM, Bénard M, Rohmer MM. Liu IP, et al. Among authors: benard m. Inorg Chem. 2007 Nov 12;46(23):9602-8. doi: 10.1021/ic070319l. Epub 2007 Oct 11. Inorg Chem. 2007. PMID: 17929801

9

Dynamic properties of a hexadecamolybdenum wheel: studies in solution and density functional theory calculations.

Kachmar A, Floquet S, Lemonnier JF, Cadot E, Rohmer MM, Bénard M. Kachmar A, et al. Among authors: benard m. Inorg Chem. 2009 Jul 20;48(14):6852-9. doi: 10.1021/ic900783k. Inorg Chem. 2009. PMID: 19534511

10

Bimetallic carbonyl thiolates as functional models for Fe-only hydrogenases.

Gloaguen F, Lawrence JD, Rauchfuss TB, Bénard M, Rohmer MM. Gloaguen F, et al. Among authors: benard m. Inorg Chem. 2002 Dec 16;41(25):6573-82. doi: 10.1021/ic025838x. Inorg Chem. 2002. PMID: 12470052

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