AAAAAA

   
Results: 1-25 | 26-39 |
Results: 26-39/39
STRUCTURAL-CHANGES AS A FUNCTION OF TORSIONAL MOTION STUDIED BY AB-INITIO CALCULATIONS .3. XA-AX (A=O, S AND X=H, F, CL) AND IMPLICATIONS ON COMPARISONS OF STRUCTURAL PARAMETERS FROM AB-INITIO CALCULATIONS ANDELECTRON-DIFFRACTION, AND ON INCLUSION OF ROTATIONAL-CONSTANTS IN AN ELECTRON-DIFFRACTION ANALYSIS
Authors: SAMDAL S MASTRYUKOV VS BOGGS JE
Citation: S. Samdal et al., STRUCTURAL-CHANGES AS A FUNCTION OF TORSIONAL MOTION STUDIED BY AB-INITIO CALCULATIONS .3. XA-AX (A=O, S AND X=H, F, CL) AND IMPLICATIONS ON COMPARISONS OF STRUCTURAL PARAMETERS FROM AB-INITIO CALCULATIONS ANDELECTRON-DIFFRACTION, AND ON INCLUSION OF ROTATIONAL-CONSTANTS IN AN ELECTRON-DIFFRACTION ANALYSIS, Journal of molecular structure. Theochem, 115(1), 1994, pp. 21-30
INVERSE BOND-LENGTH BOND-ANGLE RELATIONSHIPS .6. AN AB-INITIO SURVEY OF BEHAVIORAL TYPES
Authors: MASTRYUKOV VS PALAFOX MA BOGGS JE
Citation: Vs. Mastryukov et al., INVERSE BOND-LENGTH BOND-ANGLE RELATIONSHIPS .6. AN AB-INITIO SURVEY OF BEHAVIORAL TYPES, Journal of molecular structure. Theochem, 110(3), 1994, pp. 261-267
STRUCTURE AND CONFORMATIONS OF 6-MEMBERED SYSTEMS A(6)H(12) (A=C, SI)- AB-INITIO STUDY OF CYCLOHEXANE AND CYCLOHEXASILANE
Authors: LEONG MK MASTRYUKOV VS BOGGS JE
Citation: Mk. Leong et al., STRUCTURE AND CONFORMATIONS OF 6-MEMBERED SYSTEMS A(6)H(12) (A=C, SI)- AB-INITIO STUDY OF CYCLOHEXANE AND CYCLOHEXASILANE, Journal of physical chemistry, 98(28), 1994, pp. 6961-6966
SELF-CONSISTENT CHANGES OF GEOMETRICAL PARAMETERS - EXPERIMENT AND THEORY
Authors: MASTRYUKOV VS SCHAEFER HF BOGGS JE
Citation: Vs. Mastryukov et al., SELF-CONSISTENT CHANGES OF GEOMETRICAL PARAMETERS - EXPERIMENT AND THEORY, Accounts of chemical research, 27(8), 1994, pp. 242-249
VIBRATIONAL-SPECTRA IN THE NU(SIH) AND NU(SID) REGIONS OF CHLORO AND BROMODISILANES AND AB-INITIO GEOMETRY STUDIES OF C2H5CL, SI2H5CL AND 1,1-SI2H4CL2
Authors: MCKEAN DC MCPHAIL AL EDWARDS HGM LEWIS IR MASTRYUKOV VS BOGGS JE
Citation: Dc. Mckean et al., VIBRATIONAL-SPECTRA IN THE NU(SIH) AND NU(SID) REGIONS OF CHLORO AND BROMODISILANES AND AB-INITIO GEOMETRY STUDIES OF C2H5CL, SI2H5CL AND 1,1-SI2H4CL2, Spectrochimica acta. Part A: Molecular spectroscopy, 49(8), 1993, pp. 1079-1094
STRUCTURAL-CHANGES AS A FUNCTION OF TORSIONAL MOTION STUDIED BY AB-INITIO CALCULATIONS .2. X2A-AX2 (A = N, P AND X = H, F, CL) AND SOME IMPLICATIONS FOR ELECTRON-DIFFRACTION ANALYSIS
Authors: MASTRYUKOV VS BOGGS JE SAMDAL S
Citation: Vs. Mastryukov et al., STRUCTURAL-CHANGES AS A FUNCTION OF TORSIONAL MOTION STUDIED BY AB-INITIO CALCULATIONS .2. X2A-AX2 (A = N, P AND X = H, F, CL) AND SOME IMPLICATIONS FOR ELECTRON-DIFFRACTION ANALYSIS, Journal of molecular structure. Theochem, 107(3), 1993, pp. 225-234
AN AM1 STUDY OF STRUCTURE AND CONFORMATIONAL ISOMERISM IN BICYCLO[3.3.1]NONANE AND SEVERAL 3,7-DIAZA DERIVATIVES
Authors: PALAFOX MA BOGGS JE
Citation: Ma. Palafox et Je. Boggs, AN AM1 STUDY OF STRUCTURE AND CONFORMATIONAL ISOMERISM IN BICYCLO[3.3.1]NONANE AND SEVERAL 3,7-DIAZA DERIVATIVES, Journal of molecular structure. Theochem, 104(1), 1993, pp. 33-46
THEORETICAL PREDICTION OF THE VIBRATIONAL-SPECTRUM, GEOMETRY, AND SCALED QUANTUM-MECHANICAL (SQM) FORCE-FIELD OF PHENYLSILANE, C6H5SIH3
Authors: PALAFOX MA BOGGS JE
Citation: Ma. Palafox et Je. Boggs, THEORETICAL PREDICTION OF THE VIBRATIONAL-SPECTRUM, GEOMETRY, AND SCALED QUANTUM-MECHANICAL (SQM) FORCE-FIELD OF PHENYLSILANE, C6H5SIH3, Journal of molecular structure. Theochem, 103(1-2), 1993, pp. 23-35
STRUCTURAL-CHANGES AS A FUNCTION OF TORSIONAL MOTION STUDIED BY AB-INITIO CALCULATIONS .1. X3A-AX3 (A=C, SI, GE AND X=H, F, CL)
Authors: MASTRYUKOV VS BOGGS JE SAMDAL S
Citation: Vs. Mastryukov et al., STRUCTURAL-CHANGES AS A FUNCTION OF TORSIONAL MOTION STUDIED BY AB-INITIO CALCULATIONS .1. X3A-AX3 (A=C, SI, GE AND X=H, F, CL), Journal of molecular structure. Theochem, 102, 1993, pp. 199-206
NONEMPIRICAL QUANTUM-CHEMICAL CALCULATION FOR NITRAMIDE, ITS CHLOROSUBSTITUTED AND METHYL-SUBSTITUTED DERIVATIVES .1. STRUCTURE OF EQUILIBRIUM FORMS
Authors: KHAIKIN LS GRIKINA OE VILKOV LV PALAFOX MA BOGGS JE
Citation: Ls. Khaikin et al., NONEMPIRICAL QUANTUM-CHEMICAL CALCULATION FOR NITRAMIDE, ITS CHLOROSUBSTITUTED AND METHYL-SUBSTITUTED DERIVATIVES .1. STRUCTURE OF EQUILIBRIUM FORMS, Journal of structural chemistry, 34(1), 1993, pp. 2-8
NONEMPIRICAL QUANTUM-CHEMICAL CALCULATION FOR NITRAMIDE, ITS CHLOROSUBSTITUTED AND METHYL-SUBSTITUTED DERIVATIVES .2. STRUCTURES AND ENERGIES OF TRANSITION-STATES FOR INTERNAL-ROTATION AND INVERSION OF THE AMINO GROUP
Authors: KHAIKIN LS GRIKINA OE VILKOV LV BOGGS JE
Citation: Ls. Khaikin et al., NONEMPIRICAL QUANTUM-CHEMICAL CALCULATION FOR NITRAMIDE, ITS CHLOROSUBSTITUTED AND METHYL-SUBSTITUTED DERIVATIVES .2. STRUCTURES AND ENERGIES OF TRANSITION-STATES FOR INTERNAL-ROTATION AND INVERSION OF THE AMINO GROUP, Journal of structural chemistry, 34(1), 1993, pp. 9-16
THE NATURE OF THE COVALENT BOND - THE EXISTENCE AND ORIGIN OF NONNUCLEAR ATTRACTORS
Authors: BERSUKER GI PENG CY BOGGS JE
Citation: Gi. Bersuker et al., THE NATURE OF THE COVALENT BOND - THE EXISTENCE AND ORIGIN OF NONNUCLEAR ATTRACTORS, Journal of physical chemistry, 97(37), 1993, pp. 9323-9329
INVERSE BOND-LENGTH BOND-ANGLE RELATIONSHIPS .5. AN AB-INITIO STUDY OF MOLECULES WITH MULTIPLE BONDS
Authors: MASTRYUKOV VS BOGGS JE
Citation: Vs. Mastryukov et Je. Boggs, INVERSE BOND-LENGTH BOND-ANGLE RELATIONSHIPS .5. AN AB-INITIO STUDY OF MOLECULES WITH MULTIPLE BONDS, Journal of molecular structure, 300, 1993, pp. 141-147
LOCAL SUPERDIRECT SELF-CONSISTENT-FIELD
Authors: PENG CY BOGGS JE
Citation: Cy. Peng et Je. Boggs, LOCAL SUPERDIRECT SELF-CONSISTENT-FIELD, The Journal of chemical physics, 99(10), 1993, pp. 7825-7832
Risultati: 1-25 | 26-39 |