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Results: 1-25 | 26-30
Results: 1-25/30
MOLECULAR-STRUCTURE AND PSEUDOROTATION IN 3,3-DIMETHYL-3-SILATETRAHYDROTHIOPHENE FROM A JOINT GAS-PHASE ELECTRON-DIFFRACTION AND AB-INITIO MOLECULAR-ORBITAL STUDY
Authors: BORISENKO KB SAMDAL S SUSLOVA EN SIPACHEV VA SHISHKOV IF VILKOV LV
Citation: Kb. Borisenko et al., MOLECULAR-STRUCTURE AND PSEUDOROTATION IN 3,3-DIMETHYL-3-SILATETRAHYDROTHIOPHENE FROM A JOINT GAS-PHASE ELECTRON-DIFFRACTION AND AB-INITIO MOLECULAR-ORBITAL STUDY, Acta chemica Scandinavica, 52(8), 1998, pp. 975-984
INTRAMOLECULAR MOTION AND MOLECULAR-STRUCTURE OF N-NITROPYRROLIDINE -A GAS-PHASE ELECTRON-DIFFRACTION AND AB-INITIO MOLECULAR-ORBITAL STUDY
Authors: BORISENKO KB SAMDAL S SHISHKOV IF VILKOV LV
Citation: Kb. Borisenko et al., INTRAMOLECULAR MOTION AND MOLECULAR-STRUCTURE OF N-NITROPYRROLIDINE -A GAS-PHASE ELECTRON-DIFFRACTION AND AB-INITIO MOLECULAR-ORBITAL STUDY, Acta chemica Scandinavica, 52(3), 1998, pp. 312-321
ASYMMETRY IN METHYL-GROUP OF ETHANE DURING INTERNAL-ROTATION - AB-INITIO STUDY
Authors: MASTRYUKOV VS SAMDAL S
Citation: Vs. Mastryukov et S. Samdal, ASYMMETRY IN METHYL-GROUP OF ETHANE DURING INTERNAL-ROTATION - AB-INITIO STUDY, Journal of computational chemistry, 19(10), 1998, pp. 1141-1145
MOLECULAR-STRUCTURE AND CONFORMATIONS OF TETRAHYDROFURFURYL ALCOHOL FROM A JOINT GAS-PHASE ELECTRON-DIFFRACTION AND AB-INITIO MOLECULAR-ORBITAL INVESTIGATION
Authors: BORISENKO KB SAMDAL S SHISHKOV IF VILKOV LV
Citation: Kb. Borisenko et al., MOLECULAR-STRUCTURE AND CONFORMATIONS OF TETRAHYDROFURFURYL ALCOHOL FROM A JOINT GAS-PHASE ELECTRON-DIFFRACTION AND AB-INITIO MOLECULAR-ORBITAL INVESTIGATION, Journal of molecular structure, 448(1), 1998, pp. 29-41
THE MOLECULAR-STRUCTURE AND THE PUCKERING POTENTIAL FUNCTION OF 1,1-DICHLORSILACYCLOBUTANE DETERMINED BY GAS ELECTRON-DIFFRACTION AND RELAXATION CONSTRAINTS FROM AB-INITIO CALCULATIONS
Authors: NOVIKOV VP TARASENKO SA SAMDAL S VILKOV LV
Citation: Vp. Novikov et al., THE MOLECULAR-STRUCTURE AND THE PUCKERING POTENTIAL FUNCTION OF 1,1-DICHLORSILACYCLOBUTANE DETERMINED BY GAS ELECTRON-DIFFRACTION AND RELAXATION CONSTRAINTS FROM AB-INITIO CALCULATIONS, Journal of molecular structure, 445(1-3), 1998, pp. 207-227
THE MOLECULAR-STRUCTURE, CONFORMATION, POTENTIAL TO INTERNAL-ROTATIONAND FORCE-FIELD OF 2,2,2-TRIFLUOROACETAMIDE AS STUDIED BY GAS ELECTRON-DIFFRACTION AND QUANTUM-CHEMICAL CALCULATIONS
Authors: GUNDERSEN S SAMDAL S SEIP R SHOROKHOV DJ STRAND TG
Citation: S. Gundersen et al., THE MOLECULAR-STRUCTURE, CONFORMATION, POTENTIAL TO INTERNAL-ROTATIONAND FORCE-FIELD OF 2,2,2-TRIFLUOROACETAMIDE AS STUDIED BY GAS ELECTRON-DIFFRACTION AND QUANTUM-CHEMICAL CALCULATIONS, Journal of molecular structure, 445(1-3), 1998, pp. 229-242
ACETAMIDE, A CHALLENGE TO THEORY AND EXPERIMENT - ON THE MOLECULAR-STRUCTURE, CONFORMATION, POTENTIAL TO INTERNAL-ROTATION OF THE METHYL-GROUP AND FORCE-FIELDS OF FREE ACETAMIDE AS STUDIED BY QUANTUM-CHEMICAL CALCULATIONS
Authors: SAMDAL S
Citation: S. Samdal, ACETAMIDE, A CHALLENGE TO THEORY AND EXPERIMENT - ON THE MOLECULAR-STRUCTURE, CONFORMATION, POTENTIAL TO INTERNAL-ROTATION OF THE METHYL-GROUP AND FORCE-FIELDS OF FREE ACETAMIDE AS STUDIED BY QUANTUM-CHEMICAL CALCULATIONS, Journal of molecular structure, 440(1-3), 1998, pp. 165-174
VIBRATIONAL-SPECTRA AND ROTATIONAL-ISOMERISM OF BIS(N-2-CHLOROETHYL)NITRAMINE
Authors: KHRISTENKO LV IVANOVA EY PYATAKOV NF SAMDAL S SHISHKOV IF PENTIN YA VILKOV LV
Citation: Lv. Khristenko et al., VIBRATIONAL-SPECTRA AND ROTATIONAL-ISOMERISM OF BIS(N-2-CHLOROETHYL)NITRAMINE, Journal of structural chemistry, 38(2), 1997, pp. 244-256
THE MOLECULAR-STRUCTURE OF A GERMACYCLOBUTANE BY GAS ELECTRON-DIFFRACTION AND AB-INITIO MOLECULAR-ORBITAL CALCULATIONS
Authors: HAALAND A SAMDAL S STRAND TG TAFIPOLSKY MA VOLDEN HV VANDEHEISTEEG BJJ AKKERMAN OS BICKELHAUPT F
Citation: A. Haaland et al., THE MOLECULAR-STRUCTURE OF A GERMACYCLOBUTANE BY GAS ELECTRON-DIFFRACTION AND AB-INITIO MOLECULAR-ORBITAL CALCULATIONS, Journal of organometallic chemistry, 536(1-2), 1997, pp. 217-221
THE MOLECULAR-STRUCTURE OF BENZENE-DERIVATIVES .1. 4-FLUOROBENZALDEHYDE BY JOINT ANALYSIS OF GAS ELECTRON-DIFFRACTION, MICROWAVE SPECTROSCOPY AND AB-INITIO MOLECULAR-ORBITAL CALCULATIONS
Authors: SAMDAL S STRAND TG TAFIPOLSKY MA VILKOV LV POPIK MV VOLDEN HV
Citation: S. Samdal et al., THE MOLECULAR-STRUCTURE OF BENZENE-DERIVATIVES .1. 4-FLUOROBENZALDEHYDE BY JOINT ANALYSIS OF GAS ELECTRON-DIFFRACTION, MICROWAVE SPECTROSCOPY AND AB-INITIO MOLECULAR-ORBITAL CALCULATIONS, Journal of molecular structure, 435(1), 1997, pp. 89-99
DETERMINATION OF THE MOLECULAR-STRUCTURE AND THE INTERNAL-ROTATION POTENTIAL OF DICHLOROPHENYLPHOSPHINE USING GAS ELECTRON-DIFFRACTION AND RELAXATION CONSTRAINTS FROM AB-INITIO CALCULATIONS
Authors: NOVIKOV VP SAMDAL S VILKOV LV
Citation: Vp. Novikov et al., DETERMINATION OF THE MOLECULAR-STRUCTURE AND THE INTERNAL-ROTATION POTENTIAL OF DICHLOROPHENYLPHOSPHINE USING GAS ELECTRON-DIFFRACTION AND RELAXATION CONSTRAINTS FROM AB-INITIO CALCULATIONS, Journal of molecular structure, 413, 1997, pp. 279-292
THE MOLECULAR-STRUCTURE, CONFORMATION, POTENTIAL TO INTERNAL-ROTATIONAND FORCE-FIELD OF 2,2,2-TRICHLOROACETAMIDE AS STUDIED BY GAS ELECTRON-DIFFRACTION AND QUANTUM-CHEMICAL CALCULATIONS
Authors: SAMDAL S SEIP R
Citation: S. Samdal et R. Seip, THE MOLECULAR-STRUCTURE, CONFORMATION, POTENTIAL TO INTERNAL-ROTATIONAND FORCE-FIELD OF 2,2,2-TRICHLOROACETAMIDE AS STUDIED BY GAS ELECTRON-DIFFRACTION AND QUANTUM-CHEMICAL CALCULATIONS, Journal of molecular structure, 413, 1997, pp. 423-439
STRUCTURAL AND CONFORMATIONAL PROPERTIES OF METHOXYACETAMIDE AS STUDIED BY MICROWAVE SPECTROSCOPY AND AB-INITIO COMPUTATIONS
Authors: MARSTOKK KM MOLLENDAL H SAMDAL S
Citation: Km. Marstokk et al., STRUCTURAL AND CONFORMATIONAL PROPERTIES OF METHOXYACETAMIDE AS STUDIED BY MICROWAVE SPECTROSCOPY AND AB-INITIO COMPUTATIONS, Acta chemica Scandinavica, 50(9), 1996, pp. 845-847
STRUCTURAL-CHANGES AS A FUNCTION OF TORSIONAL MOTION STUDIED BY AB-INITIO CALCULATIONS .5. B(2)X(4)(X=F, CL, BR)
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 .5. B(2)X(4)(X=F, CL, BR), Journal of molecular structure, 380(1-2), 1996, pp. 43-53
MICROWAVE-SPECTRUM, CONFORMATION, AB-INITIO CALCULATIONS - BARRIER TOINTERNAL-ROTATION AND DIPOLE-MOMENT OF PROPIONAMIDE
Authors: MARSTOKK KM MOLLENDAL H SAMDAL S
Citation: Km. Marstokk et al., MICROWAVE-SPECTRUM, CONFORMATION, AB-INITIO CALCULATIONS - BARRIER TOINTERNAL-ROTATION AND DIPOLE-MOMENT OF PROPIONAMIDE, Journal of molecular structure, 376, 1996, pp. 11-24
MOLECULAR-STRUCTURE AND CONFORMATIONS OF BICYCLOPENTYL, C5H9-C5K9, ASSTUDIED BY ELECTRON-DIFFRACTION, MOLECULAR MECHANICS AND AB-INITIO METHODS
Authors: SHISHKOV IF MASTRYUKOV VS CHEN K ALLINGER NL GUNDERSEN S SAMDAL S VOLDEN HV
Citation: If. Shishkov et al., MOLECULAR-STRUCTURE AND CONFORMATIONS OF BICYCLOPENTYL, C5H9-C5K9, ASSTUDIED BY ELECTRON-DIFFRACTION, MOLECULAR MECHANICS AND AB-INITIO METHODS, Journal of molecular structure, 376, 1996, pp. 133-143
A NONPARAMETRIC DETERMINATION OF THE INTERNAL-ROTATION POTENTIAL AND THE MOLECULAR-GEOMETRY OF O-CHLOROANISOLE USING GAS ELECTRON-DIFFRACTION AND DATA FROM SPECTROSCOPY AND AB-INITIO CALCULATIONS
Authors: POPIK MV NOVIKOV VP VILKOV LV SAMDAL S TAFIPOLSKY MA
Citation: Mv. Popik et al., A NONPARAMETRIC DETERMINATION OF THE INTERNAL-ROTATION POTENTIAL AND THE MOLECULAR-GEOMETRY OF O-CHLOROANISOLE USING GAS ELECTRON-DIFFRACTION AND DATA FROM SPECTROSCOPY AND AB-INITIO CALCULATIONS, Journal of molecular structure, 376, 1996, pp. 173-181
NEW APPROACH TO THE NONPARAMETRIC DETERMINATION OF THE INTERNAL-ROTATION POTENTIAL FROM ELECTRON-DIFFRACTION DATA - REINVESTIGATION OF M-BROMONITROBENZENE
Authors: NOVIKOV VP POPIK MV SAMDAL S VILKOV LV VOLDEN HV
Citation: Vp. Novikov et al., NEW APPROACH TO THE NONPARAMETRIC DETERMINATION OF THE INTERNAL-ROTATION POTENTIAL FROM ELECTRON-DIFFRACTION DATA - REINVESTIGATION OF M-BROMONITROBENZENE, Journal of structural chemistry, 36(5), 1995, pp. 772-783
ELECTRON-DIFFRACTION STUDY OF THE MOLECULAR-STRUCTURE OF O-CHLOROANISOLE USING A DYNAMIC NONPARAMETRIZED MODEL
Authors: POPIK MV NOVIKOV VP VILKOV LV SAMDAL S
Citation: Mv. Popik et al., ELECTRON-DIFFRACTION STUDY OF THE MOLECULAR-STRUCTURE OF O-CHLOROANISOLE USING A DYNAMIC NONPARAMETRIZED MODEL, Journal of structural chemistry, 36(5), 1995, pp. 784-792
A THEORETICAL AND EXPERIMENTAL-STUDY OF THE MOLECULAR-STRUCTURE OF 1-BUTYNE
Authors: BASTIANSEN O BAKKEN P KLOSTERJENSEN E SAMDAL S TRAETTEBERG M
Citation: O. Bastiansen et al., A THEORETICAL AND EXPERIMENTAL-STUDY OF THE MOLECULAR-STRUCTURE OF 1-BUTYNE, Journal of molecular structure, 352, 1995, pp. 77-85
A NEW APPROACH TO THE NONPARAMETRIC DETERMINATION OF INTERNAL-ROTATION POTENTIAL FROM ELECTRON-DIFFRACTION DATA AS APPLIED TO REINVESTIGATION OF THE MOLECULAR-STRUCTURE OF M-BROMONITROBENZENE
Authors: NOVIKOV VP POPIK MV SAMDAL S VILKOV LV VOLDEN HV
Citation: Vp. Novikov et al., A NEW APPROACH TO THE NONPARAMETRIC DETERMINATION OF INTERNAL-ROTATION POTENTIAL FROM ELECTRON-DIFFRACTION DATA AS APPLIED TO REINVESTIGATION OF THE MOLECULAR-STRUCTURE OF M-BROMONITROBENZENE, Journal of molecular structure, 352, 1995, pp. 125-134
STRUCTURAL-CHANGES AS A FUNCTION OF TORSIONAL MOTION STUDIED BY AB-INITIO CALCULATIONS .4. THE DEPENDENCE OF THE DYNAMIC BEHAVIOR OF THE STRUCTURAL PARAMETERS FOR H2O2 AND H2S2 ON BASIS-SETS AND COMPARISON WITH EXPERIMENTAL RESULTS
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 .4. THE DEPENDENCE OF THE DYNAMIC BEHAVIOR OF THE STRUCTURAL PARAMETERS FOR H2O2 AND H2S2 ON BASIS-SETS AND COMPARISON WITH EXPERIMENTAL RESULTS, Journal of molecular structure, 346, 1995, pp. 35-40
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
ELECTRON-DIFFRACTION AND QUANTUM-CHEMICAL STUDY OF THE MOLECULAR-STRUCTURE OF O-CHLOROANISOLE, M-CHLOROANISOLE AND P-CHLOROANISOLE
Authors: POPIK MV TAFIPOLSKII MA SAMDAL S NAUMOV VA IVANOV AA VILKOV LV
Citation: Mv. Popik et al., ELECTRON-DIFFRACTION AND QUANTUM-CHEMICAL STUDY OF THE MOLECULAR-STRUCTURE OF O-CHLOROANISOLE, M-CHLOROANISOLE AND P-CHLOROANISOLE, Kristallografia, 39(2), 1994, pp. 291-300
THE EFFECT OF LARGE-AMPLITUDE MOTION ON THE COMPARISON OF BOND DISTANCES FROM AB-INITIO CALCULATIONS AND EXPERIMENTALLY DETERMINED BOND DISTANCES, AND ON ROOT-MEAN-SQUARE AMPLITUDES OF VIBRATION, SHRINKAGE, ASYMMETRY CONSTANTS, SYMMETRY CONSTRAINTS, AND INCLUSION OF ROTATIONAL-CONSTANTS USING THE ELECTRON-DIFFRACTION METHOD
Authors: SAMDAL S
Citation: S. Samdal, THE EFFECT OF LARGE-AMPLITUDE MOTION ON THE COMPARISON OF BOND DISTANCES FROM AB-INITIO CALCULATIONS AND EXPERIMENTALLY DETERMINED BOND DISTANCES, AND ON ROOT-MEAN-SQUARE AMPLITUDES OF VIBRATION, SHRINKAGE, ASYMMETRY CONSTANTS, SYMMETRY CONSTRAINTS, AND INCLUSION OF ROTATIONAL-CONSTANTS USING THE ELECTRON-DIFFRACTION METHOD, Journal of molecular structure, 318, 1994, pp. 133-141
Risultati: 1-25 | 26-30