Results: 1-4 |
Results: 4
AB-INITIO MODELING OF THE ENDOHEDRAL REACTIVITY OF POLYOXOMETALATES .1. HOST-GUEST INTERACTIONS IN [RCN-SUBSET-OF(V12O32)(4-)] (R=H, CH3, C6H5)
Authors: ROHMER MM DEVEMY J WIEST R BENARD M
Citation: Mm. Rohmer et al., AB-INITIO MODELING OF THE ENDOHEDRAL REACTIVITY OF POLYOXOMETALATES .1. HOST-GUEST INTERACTIONS IN [RCN-SUBSET-OF(V12O32)(4-)] (R=H, CH3, C6H5), Journal of the American Chemical Society, 118(51), 1996, pp. 13007-13014
HYDROGEN-BONDS - FIRST QUANTITATIVE AGREEMENT BETWEEN ELECTROSTATIC POTENTIAL CALCULATIONS FROM EXPERIMENTAL X-(X-INITIO SCF MODELS(N) AND THEORETICAL AB)
Authors: ESPINOSA E LECOMTE C GHERMANI NE DEVEMY J ROHMER MM BENARD M MOLINS E
Citation: E. Espinosa et al., HYDROGEN-BONDS - FIRST QUANTITATIVE AGREEMENT BETWEEN ELECTROSTATIC POTENTIAL CALCULATIONS FROM EXPERIMENTAL X-(X-INITIO SCF MODELS(N) AND THEORETICAL AB), Journal of the American Chemical Society, 118(10), 1996, pp. 2501-2502
QUANTUM-CHEMICAL INVESTIGATIONS OF STABILIZING INTERACTIONS IN MU-DIBORYLCARBENE DICOBALT COMPLEXES WITH A PLANAR TETRACOORDINATE CARBON-ATOM
Authors: HYLAKRYSPIN I GLEITER R ROHMER MM DEVEMY J GUNALE A PRITZKOW H SIEBERT W
Citation: I. Hylakryspin et al., QUANTUM-CHEMICAL INVESTIGATIONS OF STABILIZING INTERACTIONS IN MU-DIBORYLCARBENE DICOBALT COMPLEXES WITH A PLANAR TETRACOORDINATE CARBON-ATOM, Chemistry, 3(2), 1997, pp. 294-299
STANDARD AND DIRECT-METHODS IN AB-INITIO HARTREE-FOCK CALCULATIONS - APPLICATION TO POLYOXOMETALATES, ORGANOMETALLIC CLUSTERS, AND POLYPEPTIDES
Authors: DEVEMY J ROHMER MM BENARD M ERNENWEIN R
Citation: J. Devemy et al., STANDARD AND DIRECT-METHODS IN AB-INITIO HARTREE-FOCK CALCULATIONS - APPLICATION TO POLYOXOMETALATES, ORGANOMETALLIC CLUSTERS, AND POLYPEPTIDES, International journal of quantum chemistry, 58(3), 1996, pp. 267-281
Risultati: 1-4 |