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Results: 1-9 |
Results: 9
THE STRUCTURE AND ENERGETICS OF GLYCINE POLYMORPHS BASED ON FIRST PRINCIPLES SIMULATION USING DENSITY-FUNCTIONAL THEORY
Authors: FREEMAN CM ANDZELM JW EWIG CS HILL JR DELLEY B
Citation: Cm. Freeman et al., THE STRUCTURE AND ENERGETICS OF GLYCINE POLYMORPHS BASED ON FIRST PRINCIPLES SIMULATION USING DENSITY-FUNCTIONAL THEORY, Chemical communications, (22), 1998, pp. 2455-2456
DERIVATION OF CLASS-II FORCE-FIELDS - VI - CARBOHYDRATE COMPOUNDS ANDANOMERIC EFFECTS
Authors: HWANG MJ NI X WALDMAN M EWIG CS HAGLER AT
Citation: Mj. Hwang et al., DERIVATION OF CLASS-II FORCE-FIELDS - VI - CARBOHYDRATE COMPOUNDS ANDANOMERIC EFFECTS, Biopolymers, 45(6), 1998, pp. 435-468
DERIVATION OF CLASS-II FORCE-FIELDS .4. VAN-DER-WAALS PARAMETERS OF ALKALI-METAL CATIONS AND HALIDE ANIONS
Authors: PENG ZW EWIG CS HWANG MJ WALDMAN M HAGLER AT
Citation: Zw. Peng et al., DERIVATION OF CLASS-II FORCE-FIELDS .4. VAN-DER-WAALS PARAMETERS OF ALKALI-METAL CATIONS AND HALIDE ANIONS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(39), 1997, pp. 7243-7252
SOLUTION-PHASE CONFORMATIONS OF N-ACETYL-N'-METHYL-L-ALANINAMIDE FROMVIBRATIONAL RAMAN OPTICAL-ACTIVITY
Authors: DENG Z POLAVARAPU PL FORD SJ HECHT L BARRON LD EWIG CS JALKANEN K
Citation: Z. Deng et al., SOLUTION-PHASE CONFORMATIONS OF N-ACETYL-N'-METHYL-L-ALANINAMIDE FROMVIBRATIONAL RAMAN OPTICAL-ACTIVITY, Journal of physical chemistry, 100(6), 1996, pp. 2025-2034
FORCE-FIELD STUDIES OF CHOLESTEROL AND CHOLESTERYL ACETATE CRYSTALS AND CHOLESTEROL CHOLESTEROL INTERMOLECULAR INTERACTIONS
Authors: LIANG CX YAN LQ HILL JR EWIG CS STOUCH TR HAGLER AT
Citation: Cx. Liang et al., FORCE-FIELD STUDIES OF CHOLESTEROL AND CHOLESTERYL ACETATE CRYSTALS AND CHOLESTEROL CHOLESTEROL INTERMOLECULAR INTERACTIONS, Journal of computational chemistry, 16(7), 1995, pp. 883-897
DERIVATION OF CLASS-II FORCE-FIELDS .1. METHODOLOGY AND QUANTUM FORCE-FIELD FOR THE ALKYL FUNCTIONAL-GROUP AND ALKANE MOLECULES
Authors: MAPLE JR HWANG MJ STOCKFISCH TP DINUR U WALDMAN M EWIG CS HAGLER AT
Citation: Jr. Maple et al., DERIVATION OF CLASS-II FORCE-FIELDS .1. METHODOLOGY AND QUANTUM FORCE-FIELD FOR THE ALKYL FUNCTIONAL-GROUP AND ALKANE MOLECULES, Journal of computational chemistry, 15(2), 1994, pp. 162-182
VIBRATIONAL PROPERTIES OF THE PEPTIDE GROUP - ACHIRAL AND CHIRAL CONFORMERS OF N-METHYLACETAMIDE
Authors: POLAVARAPU PL DENG ZY EWIG CS
Citation: Pl. Polavarapu et al., VIBRATIONAL PROPERTIES OF THE PEPTIDE GROUP - ACHIRAL AND CHIRAL CONFORMERS OF N-METHYLACETAMIDE, Journal of physical chemistry, 98(39), 1994, pp. 9919-9930
ON THE USE OF QUANTUM ENERGY SURFACES IN THE DERIVATION OF MOLECULAR-FORCE FIELDS
Authors: HAGLER AT EWIG CS
Citation: At. Hagler et Cs. Ewig, ON THE USE OF QUANTUM ENERGY SURFACES IN THE DERIVATION OF MOLECULAR-FORCE FIELDS, Computer physics communications, 84(1-3), 1994, pp. 131-155
AB-INITIO STUDIES OF LIPID MODEL SPECIES .2. CONFORMATIONAL-ANALYSIS OF INOSITOLS
Authors: LIANG CX EWIG CS STOUCH TR HAGLER AT
Citation: Cx. Liang et al., AB-INITIO STUDIES OF LIPID MODEL SPECIES .2. CONFORMATIONAL-ANALYSIS OF INOSITOLS, Journal of the American Chemical Society, 116(9), 1994, pp. 3904-3911
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