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Results: 1-15 |
Results: 15
Laser Raman and IR spectra and force fields for 2,4-dichlorobenzonitrile
Authors: Rastogi, VK Jain, V Palafox, MA Singh, DN Yadav, RA
Citation: Vk. Rastogi et al., Laser Raman and IR spectra and force fields for 2,4-dichlorobenzonitrile, SPECT ACT A, 57(2), 2001, pp. 209-216
Ab initio calculations, FTIR and Raman spectra of 2,3-difluorobenzonitrile
Authors: Palafox, MA Rastogi, VK Singh, C Tanwar, RP
Citation: Ma. Palafox et al., Ab initio calculations, FTIR and Raman spectra of 2,3-difluorobenzonitrile, SPECT ACT A, 57(12), 2001, pp. 2373-2389
FTIR study of five complex beta-lactam molecules
Authors: Gil, M Nunez, JL Palafox, MA Iza, N
Citation: M. Gil et al., FTIR study of five complex beta-lactam molecules, BIOPOLYMERS, 62(5), 2001, pp. 278-294
Fourier transform Raman spectrum and ab initio and density functional computations of the vibrational spectrum, molecular geometry, atomic charges and some molecular properties of the anticarcinogenic drug 5-fluorouracil
Authors: Rastogi, VK Jain, V Yadav, RA Singh, C Palafox, MA
Citation: Vk. Rastogi et al., Fourier transform Raman spectrum and ab initio and density functional computations of the vibrational spectrum, molecular geometry, atomic charges and some molecular properties of the anticarcinogenic drug 5-fluorouracil, J RAMAN SP, 31(7), 2000, pp. 595-603
FTIR and FT-Raman spectra of 5-methyluracil (thymine)
Authors: Rastogi, VK Singh, C Jain, V Palafox, MA
Citation: Vk. Rastogi et al., FTIR and FT-Raman spectra of 5-methyluracil (thymine), J RAMAN SP, 31(11), 2000, pp. 1005-1012
Ab initio study of geometrical structures of SiH3-XHn silanes
Authors: Palafox, MA Gomez, PC Pacios, LF
Citation: Ma. Palafox et al., Ab initio study of geometrical structures of SiH3-XHn silanes, J MOL ST-TH, 528, 2000, pp. 269-285
Scaling factors for the prediction of vibrational spectra. I. Benzene molecule
Authors: Palafox, MA
Citation: Ma. Palafox, Scaling factors for the prediction of vibrational spectra. I. Benzene molecule, INT J QUANT, 77(3), 2000, pp. 661-684
Vibrational spectra and thermodynamics of anthranilonitrile molecule
Authors: Rastogi, VK Palafox, MA Lal, B Jain, V
Citation: Vk. Rastogi et al., Vibrational spectra and thermodynamics of anthranilonitrile molecule, I J PA PHYS, 38(8), 2000, pp. 564-569
Scaling factors for the prediction of the frequencies of the ring modes inbenzene derivatives
Authors: Palafox, MA
Citation: Ma. Palafox, Scaling factors for the prediction of the frequencies of the ring modes inbenzene derivatives, J PHYS CH A, 103(51), 1999, pp. 11366-11377
Classical and inverted structures of SiXnH3-nLi and SiXnH3-nNa
Authors: Gomez, PC Palafox, MA Pacios, LF
Citation: Pc. Gomez et al., Classical and inverted structures of SiXnH3-nLi and SiXnH3-nNa, J PHYS CH A, 103(42), 1999, pp. 8537-8542
Inter-relationships between the geometrical parameters of the amino group in several para-substituted anilines
Authors: Palafox, MA Melendez, FJ
Citation: Ma. Palafox et Fj. Melendez, Inter-relationships between the geometrical parameters of the amino group in several para-substituted anilines, J MOL ST-TH, 493, 1999, pp. 171-177
Geometry and frequencies of the halothane molecule
Authors: Melendez, FJ Palafox, MA
Citation: Fj. Melendez et Ma. Palafox, Geometry and frequencies of the halothane molecule, J MOL ST-TH, 493, 1999, pp. 179-185
A comparative study of the scaled vibrational frequencies in the local anesthetics procaine, tetracaine and propoxycaine by means of semiempirical methods: AM1, PM3 and SAM1
Authors: Palafox, MA Melendez, FJ
Citation: Ma. Palafox et Fj. Melendez, A comparative study of the scaled vibrational frequencies in the local anesthetics procaine, tetracaine and propoxycaine by means of semiempirical methods: AM1, PM3 and SAM1, THEOCHEM, 459(1-3), 1999, pp. 239-271
A reinvestigation of the molecular structure of dimethyl-N-nitramine by gas electron diffraction, ab initio calculations of the molecular geometry and the force field and vibrational spectra
Authors: Shishkov, IF Khristenko, LV Sipachev, VA Vilkov, LV Samdal, S Gundersen, S Palafox, MA
Citation: If. Shishkov et al., A reinvestigation of the molecular structure of dimethyl-N-nitramine by gas electron diffraction, ab initio calculations of the molecular geometry and the force field and vibrational spectra, J MOL STRUC, 486, 1999, pp. 153-161
Empirical correlations in vibrational spectroscopy
Authors: Palafox, MA
Citation: Ma. Palafox, Empirical correlations in vibrational spectroscopy, TR APPL SPE, 2, 1998, pp. 37-57
Risultati: 1-15 |