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Results: 1-7 |
Results: 7
ETHERS, THIOETHERS AND CROWNS - SELF-INTERACTION-CORRECTED LOCAL SPIN-DENSITY VOSKO-WILKS AND NAZAIR CORRELATED, RELATIVISTIC CALCULATIONS
Authors: GALLEGOPLANAS N WHITEHEAD MA
Citation: N. Gallegoplanas et Ma. Whitehead, ETHERS, THIOETHERS AND CROWNS - SELF-INTERACTION-CORRECTED LOCAL SPIN-DENSITY VOSKO-WILKS AND NAZAIR CORRELATED, RELATIVISTIC CALCULATIONS, Journal of molecular structure. Theochem, 428, 1998, pp. 67-81
COORDINATION OF THIA-CROWN ETHERS WITH NICKEL, COBALT, COPPER AND IRON - THE SIC-LSD-VWN-R METHOD
Authors: GALLEGOPLANAS N WHITEHEAD MA
Citation: N. Gallegoplanas et Ma. Whitehead, COORDINATION OF THIA-CROWN ETHERS WITH NICKEL, COBALT, COPPER AND IRON - THE SIC-LSD-VWN-R METHOD, Journal of molecular structure. Theochem, 428, 1998, pp. 83-107
A NEW THEORETICAL APPROACH FOR THE ELECTRICAL-PROPERTIES OF TIX2 (X =S, SE, TE) PHASES WITH DENSITY-FUNCTIONAL CALCULATIONS
Authors: DOUBLET ML GALLEGOPLANAS N PHILIPSEN PHT BREC R JOBIC S
Citation: Ml. Doublet et al., A NEW THEORETICAL APPROACH FOR THE ELECTRICAL-PROPERTIES OF TIX2 (X =S, SE, TE) PHASES WITH DENSITY-FUNCTIONAL CALCULATIONS, The Journal of chemical physics, 108(2), 1998, pp. 649-658
COMPETITION BETWEEN STERIC AND ELECTRONIC CONTROL OF STRUCTURE IN RU(CO)(2)L2L' COMPLEXES
Authors: OGASAWARA M MASERAS F GALLEGOPLANAS N KAWAMURA K ITO K TOYOTA K STREIB WE KOMIYA S EISENSTEIN O CAULTON KG
Citation: M. Ogasawara et al., COMPETITION BETWEEN STERIC AND ELECTRONIC CONTROL OF STRUCTURE IN RU(CO)(2)L2L' COMPLEXES, Organometallics, 16(9), 1997, pp. 1979-1993
THE MOLECULAR-STRUCTURE OF PENTASILA AND PENTAGERMA[III] PROPELLANES FROM RELATIVISTIC SELF-INTERACTION-CORRECTED DENSITY-FUNCTIONAL THEORYWITH VOSKO-WILK AND NUSAIR CORRELATION - THE LSD-SIC-VWN-R THEORY
Authors: GALLEGOPLANAS N WHITEHEAD MA
Citation: N. Gallegoplanas et Ma. Whitehead, THE MOLECULAR-STRUCTURE OF PENTASILA AND PENTAGERMA[III] PROPELLANES FROM RELATIVISTIC SELF-INTERACTION-CORRECTED DENSITY-FUNCTIONAL THEORYWITH VOSKO-WILK AND NUSAIR CORRELATION - THE LSD-SIC-VWN-R THEORY, Journal of molecular structure. Theochem, 391(1-2), 1997, pp. 51-60
RUX(CO)(NO)L-2 AND RU(CO)(NO)L-2(- RU(0) OR RU(II) OR IN BETWEEN() )
Authors: OGASAWARA M HUANG DJ STREIB WE HUFFMAN JC GALLEGOPLANAS N MASERAS F EISENSTEIN O CAULTON KG
Citation: M. Ogasawara et al., RUX(CO)(NO)L-2 AND RU(CO)(NO)L-2(- RU(0) OR RU(II) OR IN BETWEEN() ), Journal of the American Chemical Society, 119(37), 1997, pp. 8642-8651
UNEXPECTED COEXISTENCE OF ISOMERIC FORMS AND UNUSUAL STRUCTURES OF RU(CO)(2)L(3)
Authors: OGASAWARA M MASERAS F GALLEGOPLANAS N STREIB WE EISENSTEIN O CAULTON KG
Citation: M. Ogasawara et al., UNEXPECTED COEXISTENCE OF ISOMERIC FORMS AND UNUSUAL STRUCTURES OF RU(CO)(2)L(3), Inorganic chemistry, 35(26), 1996, pp. 7468
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