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Results: 1-10 |
Results: 10
Inverse spectral problem and effective molecular force fields
Authors: Pentin, YA Kuramshina, GM
Citation: Ya. Pentin et Gm. Kuramshina, Inverse spectral problem and effective molecular force fields, RUSS J PH C, 75(9), 2001, pp. 1522-1527
The use of ab initio calculation results in electron diffraction studies of the equilibrium structure of molecules
Authors: Kochikov, IV Tarasov, YI Spiridonov, VP Kuramshina, GM Saakyan, AS Pentin, YA
Citation: Iv. Kochikov et al., The use of ab initio calculation results in electron diffraction studies of the equilibrium structure of molecules, RUSS J PH C, 75(3), 2001, pp. 395-400
Torsional vibrations and the equilibrium structure of the B2F4 molecule
Authors: Novosadov, BK Tarasov, YI Kochikov, IV Kuramshina, GM Spiridonov, VP Pentin, YA
Citation: Bk. Novosadov et al., Torsional vibrations and the equilibrium structure of the B2F4 molecule, RUSS J PH C, 75(11), 2001, pp. 1823-1826
The equilibrium structure of thiophene by the combined use of electron diffraction, vibrational spectroscopy and microwave spectroscopy guided by theoretical calculations
Authors: Kochikov, IV Tarasov, YI Spiridonov, VP Kuramshina, GM Rankin, DWH Saakjan, AS Yagola, AG
Citation: Iv. Kochikov et al., The equilibrium structure of thiophene by the combined use of electron diffraction, vibrational spectroscopy and microwave spectroscopy guided by theoretical calculations, J MOL STRUC, 567, 2001, pp. 29-40
Ab initio study of the structure of 2,2-difluoroethanal in the ground and lowest excited triplet electronic states
Authors: Bataev, VA Dolgov, EK Abramenkov, AV Kuramshina, GM Godunov, IA
Citation: Va. Bataev et al., Ab initio study of the structure of 2,2-difluoroethanal in the ground and lowest excited triplet electronic states, RUSS CHEM B, 49(6), 2000, pp. 984-990
Rotational isomerism in 1,2-difluoro-1,1,2-trichloro-ethane as studied by vibrational spectroscopy and ab initio calculations
Authors: Senyavin, VM Kuramshina, GM Gorichev, AI Pentin, YA
Citation: Vm. Senyavin et al., Rotational isomerism in 1,2-difluoro-1,1,2-trichloro-ethane as studied by vibrational spectroscopy and ab initio calculations, J MOL STRUC, 550, 2000, pp. 319-328
The use of ab initio anharmonic force fields in experimental studies of equilibrium molecular geometry
Authors: Kochikov, IV Tarasov, YI Spiridonov, VP Kuramshina, GM Saakjan, AS Yagola, AG
Citation: Iv. Kochikov et al., The use of ab initio anharmonic force fields in experimental studies of equilibrium molecular geometry, J MOL STRUC, 550, 2000, pp. 429-438
New approaches for molecular conformer force field analysis in combinationwith ab initio results
Authors: Kuramshina, GM Pentin, YA Yagola, AG
Citation: Gm. Kuramshina et al., New approaches for molecular conformer force field analysis in combinationwith ab initio results, J MOL STRUC, 509(1-3), 1999, pp. 255-263
Extension of a regularizing algorithm for the determination of equilibriumgeometry and force field of free molecules from joint use of electron diffraction, molecular spectroscopy and ab initio data on systems with large-amplitude oscillatory motion
Authors: Kochikov, IV Tarasov, YI Spiridonov, VP Kuramshina, GM Yagola, AG Saakjan, AS Popik, MV Samdal, S
Citation: Iv. Kochikov et al., Extension of a regularizing algorithm for the determination of equilibriumgeometry and force field of free molecules from joint use of electron diffraction, molecular spectroscopy and ab initio data on systems with large-amplitude oscillatory motion, J MOL STRUC, 486, 1999, pp. 421-443
DFT force fields, vibrational spectra and potential functions for hinderedinternal rotation of CF3CH2CH2Cl and CCl3CH2CH2Cl
Authors: Kuramshina, GM Pentin, YA
Citation: Gm. Kuramshina et Ya. Pentin, DFT force fields, vibrational spectra and potential functions for hinderedinternal rotation of CF3CH2CH2Cl and CCl3CH2CH2Cl, J MOL STRUC, 481, 1999, pp. 161-168
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