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Results: 1-10 |
Results: 10
Out-of-plane modes of cis-1,3,5-hexatriene: Frequency shifts in the 2(1)A(1) and 1(1)B(1) excited states
Authors: Woywod, C Snyder, JA Frederick, JH
Citation: C. Woywod et al., Out-of-plane modes of cis-1,3,5-hexatriene: Frequency shifts in the 2(1)A(1) and 1(1)B(1) excited states, J PHYS CH A, 105(12), 2001, pp. 2903-2910
Previtamin D conformations and the wavelength-dependent photoconversions of previtamin D
Authors: Dmitrenko, O Frederick, JH Reischl, W
Citation: O. Dmitrenko et al., Previtamin D conformations and the wavelength-dependent photoconversions of previtamin D, J PHOTOCH A, 139(2-3), 2001, pp. 125-131
S-1-S-2 vibronic coupling in cis-1,3,5-hexatriene. I. Electronic structurecalculations
Authors: Woywod, C Livingood, WC Frederick, JH
Citation: C. Woywod et al., S-1-S-2 vibronic coupling in cis-1,3,5-hexatriene. I. Electronic structurecalculations, J CHEM PHYS, 114(4), 2001, pp. 1631-1644
S-1-S-2 vibronic coupling in cis-1,3,5-hexatriene. II. Theoretical investigation of absorption and resonance Raman spectra
Authors: Woywod, C Livingood, WC Frederick, JH
Citation: C. Woywod et al., S-1-S-2 vibronic coupling in cis-1,3,5-hexatriene. II. Theoretical investigation of absorption and resonance Raman spectra, J CHEM PHYS, 114(4), 2001, pp. 1645-1662
Ab initio study of conformational stability in previtamin D, vitamin D andrelated model compounds
Authors: Dmitrenko, O Frederick, JH Reischl, W
Citation: O. Dmitrenko et al., Ab initio study of conformational stability in previtamin D, vitamin D andrelated model compounds, J MOL ST-TH, 530(1-2), 2000, pp. 85-96
S-1-S-2 vibronic coupling in trans-1,3,5-hexatriene. I. Electronic structure calculations
Authors: Woywod, C Livingood, WC Frederick, JH
Citation: C. Woywod et al., S-1-S-2 vibronic coupling in trans-1,3,5-hexatriene. I. Electronic structure calculations, J CHEM PHYS, 112(2), 2000, pp. 613-625
S-1-S-2 vibronic coupling in trans-1,3,5-hexatriene. II. Theoretical investigation of absorption and resonance Raman spectra
Authors: Woywod, C Livingood, WC Frederick, JH
Citation: C. Woywod et al., S-1-S-2 vibronic coupling in trans-1,3,5-hexatriene. II. Theoretical investigation of absorption and resonance Raman spectra, J CHEM PHYS, 112(2), 2000, pp. 626-640
Multidimensional quantum dynamics with trajectories: a novel numerical implementation of Bohmian mechanics
Authors: Nerukh, D Frederick, JH
Citation: D. Nerukh et Jh. Frederick, Multidimensional quantum dynamics with trajectories: a novel numerical implementation of Bohmian mechanics, CHEM P LETT, 332(1-2), 2000, pp. 145-153
Theoretical studies of the first strongly allowed singlet states of 3-desoxy analogs of previtamin D, vitamin D, and their E-isomers
Authors: Dmitrenko, O Vivian, JT Reischl, U Frederick, JH
Citation: O. Dmitrenko et al., Theoretical studies of the first strongly allowed singlet states of 3-desoxy analogs of previtamin D, vitamin D, and their E-isomers, THEOCHEM, 467(3), 1999, pp. 195-210
General formulation of the vibrational kinetic energy operator in internalbond-angle coordinates
Authors: Frederick, JH Woywod, C
Citation: Jh. Frederick et C. Woywod, General formulation of the vibrational kinetic energy operator in internalbond-angle coordinates, J CHEM PHYS, 111(16), 1999, pp. 7255-7271
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