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Results: 1-25 | 26-35 |
Results: 26-35/35
PARALLEL COMPUTATIONAL CHEMISTRY MADE EASIER - THE DEVELOPMENT OF NWCHEM
Authors: BERNHOLDT DE APRA E FRUCHTL HA GUEST MF HARRISON RJ KENDALL RA KUTTEH RA LONG X NICHOLAS JB NICHOLS JA TAYLOR HL WONG AT
Citation: De. Bernholdt et al., PARALLEL COMPUTATIONAL CHEMISTRY MADE EASIER - THE DEVELOPMENT OF NWCHEM, International journal of quantum chemistry, 1995, pp. 475-483
EFFICIENT DIPOLE ITERATION IN POLARIZABLE CHARGED SYSTEMS USING THE CELL MULTIPOLE METHOD AND APPLICATION TO POLARIZABLE WATER
Authors: KUTTEH R NICHOLAS JB
Citation: R. Kutteh et Jb. Nicholas, EFFICIENT DIPOLE ITERATION IN POLARIZABLE CHARGED SYSTEMS USING THE CELL MULTIPOLE METHOD AND APPLICATION TO POLARIZABLE WATER, Computer physics communications, 86(3), 1995, pp. 227-235
IMPLEMENTING THE CELL MULTIPOLE METHOD FOR DIPOLAR AND CHARGED DIPOLAR SYSTEMS
Authors: KUTTEH R NICHOLAS JB
Citation: R. Kutteh et Jb. Nicholas, IMPLEMENTING THE CELL MULTIPOLE METHOD FOR DIPOLAR AND CHARGED DIPOLAR SYSTEMS, Computer physics communications, 86(3), 1995, pp. 236-254
DENSITY-FUNCTIONAL THEORETICAL AND NMR-STUDY OF HAMMETT BASES IN ACIDIC ZEOLITES
Authors: NICHOLAS JB HAW JF BECK LW KRAWIETZ TR FERGUSON DB
Citation: Jb. Nicholas et al., DENSITY-FUNCTIONAL THEORETICAL AND NMR-STUDY OF HAMMETT BASES IN ACIDIC ZEOLITES, Journal of the American Chemical Society, 117(49), 1995, pp. 12350-12351
KINETIC NMR AND DENSITY-FUNCTIONAL STUDY OF BENZENE H D EXCHANGE IN ZEOLITES, THE MOST SIMPLE AROMATIC-SUBSTITUTION/
Authors: BECK LW XU T NICHOLAS JB HAW JF
Citation: Lw. Beck et al., KINETIC NMR AND DENSITY-FUNCTIONAL STUDY OF BENZENE H D EXCHANGE IN ZEOLITES, THE MOST SIMPLE AROMATIC-SUBSTITUTION/, Journal of the American Chemical Society, 117(46), 1995, pp. 11594-11595
SI3O4- - VIBRATIONALLY RESOLVED PHOTOELECTRON-SPECTRUM AND AB-INITIO CALCULATIONS
Authors: FAN JW NICHOLAS JB PRICE JM COLSON SD WANG LS
Citation: Jw. Fan et al., SI3O4- - VIBRATIONALLY RESOLVED PHOTOELECTRON-SPECTRUM AND AB-INITIO CALCULATIONS, Journal of the American Chemical Society, 117(19), 1995, pp. 5417-5418
MOLECULAR MODELING OF THE ENTHALPIES OF ADSORPTION OF HYDROCARBONS ONSMECTITE CLAY
Authors: KELDSEN GL NICHOLAS JB CARRADO KA WINANS RE
Citation: Gl. Keldsen et al., MOLECULAR MODELING OF THE ENTHALPIES OF ADSORPTION OF HYDROCARBONS ONSMECTITE CLAY, Journal of physical chemistry, 98(1), 1994, pp. 279-284
AB-INITIO PERIODIC HARTREE-FOCK INVESTIGATION OF A ZEOLITE ACID SITE
Authors: NICHOLAS JB HESS AC
Citation: Jb. Nicholas et Ac. Hess, AB-INITIO PERIODIC HARTREE-FOCK INVESTIGATION OF A ZEOLITE ACID SITE, Journal of the American Chemical Society, 116(12), 1994, pp. 5428-5436
DENSITY-FUNCTIONAL STUDY OF CLUSTER-MODELS OF ZEOLITES .1. STRUCTURE AND ACIDITY OF HYDROXYL-GROUPS IN DISILOXANE ANALOGS
Authors: STAVE MS NICHOLAS JB
Citation: Ms. Stave et Jb. Nicholas, DENSITY-FUNCTIONAL STUDY OF CLUSTER-MODELS OF ZEOLITES .1. STRUCTURE AND ACIDITY OF HYDROXYL-GROUPS IN DISILOXANE ANALOGS, Journal of physical chemistry, 97(38), 1993, pp. 9630-9641
MOLECULAR-DYNAMICS SIMULATION OF PROPANE AND METHANE IN SILICALITE
Authors: NICHOLAS JB TROUW FR MERTZ JE ITON LE HOPFINGER AJ
Citation: Jb. Nicholas et al., MOLECULAR-DYNAMICS SIMULATION OF PROPANE AND METHANE IN SILICALITE, Journal of physical chemistry, 97(16), 1993, pp. 4149-4163
Risultati: 1-25 | 26-35 |