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Results: 1-12 |
Results: 12
Transition from hydrogen bonding to ionization in (HCl)(n)(NH3)(n) and (HCl)n(H2O)(n) clusters: Consequences or anharmonic vibrational spectroscopy
Authors: Chaban, GM Gerber, RB Janda, KC
Citation: Gm. Chaban et al., Transition from hydrogen bonding to ionization in (HCl)(n)(NH3)(n) and (HCl)n(H2O)(n) clusters: Consequences or anharmonic vibrational spectroscopy, J PHYS CH A, 105(36), 2001, pp. 8323-8332
Anharmonic vibrational spectroscopy of the glycine-water complex: Calculations for ab initio, empirical, and hybrid quantum mechanics/molecular mechanics potentials
Authors: Chaban, GM Gerber, RB
Citation: Gm. Chaban et Rb. Gerber, Anharmonic vibrational spectroscopy of the glycine-water complex: Calculations for ab initio, empirical, and hybrid quantum mechanics/molecular mechanics potentials, J CHEM PHYS, 115(3), 2001, pp. 1340-1348
Lifetime and decomposition pathways of a chemically bound helium compound
Authors: Chaban, GM Lundell, J Gerber, RB
Citation: Gm. Chaban et al., Lifetime and decomposition pathways of a chemically bound helium compound, J CHEM PHYS, 115(16), 2001, pp. 7341-7343
Anharmonic vibrational spectroscopy of glycine: Testing of ab initio and empirical potentials
Authors: Chaban, GM Jung, JO Gerber, RB
Citation: Gm. Chaban et al., Anharmonic vibrational spectroscopy of glycine: Testing of ab initio and empirical potentials, J PHYS CH A, 104(44), 2000, pp. 10035-10044
Anharmonic vibrational spectroscopy calculations for novel rare-gas-containing compounds: HXeH, HXeCl, HXeBr, and HXeOH
Authors: Lundell, J Chaban, GM Gerber, RB
Citation: J. Lundell et al., Anharmonic vibrational spectroscopy calculations for novel rare-gas-containing compounds: HXeH, HXeCl, HXeBr, and HXeOH, J PHYS CH A, 104(34), 2000, pp. 7944-7949
Anharmonic vibrational spectroscopy of hydrogen-bonded systems directly computed from ab initio potential surfaces: (H2O)(n), n=2, 3; Cl-(H2O)(n), n=1, 2; H+(H2O)(n), n=1, 2; H2O-CH3OH
Authors: Chaban, GM Jung, JO Gerber, RB
Citation: Gm. Chaban et al., Anharmonic vibrational spectroscopy of hydrogen-bonded systems directly computed from ab initio potential surfaces: (H2O)(n), n=2, 3; Cl-(H2O)(n), n=1, 2; H+(H2O)(n), n=1, 2; H2O-CH3OH, J PHYS CH A, 104(12), 2000, pp. 2772-2779
Combined ab initio and anharmonic vibrational spectroscopy calculations for rare gas containing fluorohydrides, HRgF
Authors: Lundell, J Chaban, GM Gerber, RB
Citation: J. Lundell et al., Combined ab initio and anharmonic vibrational spectroscopy calculations for rare gas containing fluorohydrides, HRgF, CHEM P LETT, 331(2-4), 2000, pp. 308-316
Infrared spectrum of HXeI revisited: anharmonic vibrational calculations and matrix isolation experiments (vol 322, pg 389, 2000)
Authors: Lundell, J Pettersson, M Khriachtchev, L Rasanen, M Chaban, GM Gerber, RB
Citation: J. Lundell et al., Infrared spectrum of HXeI revisited: anharmonic vibrational calculations and matrix isolation experiments (vol 322, pg 389, 2000), CHEM P LETT, 326(1-2), 2000, pp. 191-191
Infrared spectrum of HXeI revisited: anharmonic vibrational calculations and matrix isolation experiments
Authors: Lundell, J Pettersson, M Khriachtchev, L Rasanen, M Chaban, GM Gerber, RB
Citation: J. Lundell et al., Infrared spectrum of HXeI revisited: anharmonic vibrational calculations and matrix isolation experiments, CHEM P LETT, 322(5), 2000, pp. 389-394
The ground and excited state hydrogen transfer potential energy surface in7-azaindole
Authors: Chaban, GM Gordon, MS
Citation: Gm. Chaban et Ms. Gordon, The ground and excited state hydrogen transfer potential energy surface in7-azaindole, J PHYS CH A, 103(1), 1999, pp. 185-189
Ab initio calculation of anharmonic vibrational states of polyatomic systems: Electronic structure combined with vibrational self-consistent field
Authors: Chaban, GM Jung, JO Gerber, RB
Citation: Gm. Chaban et al., Ab initio calculation of anharmonic vibrational states of polyatomic systems: Electronic structure combined with vibrational self-consistent field, J CHEM PHYS, 111(5), 1999, pp. 1823-1829
A natural orbital diagnostic for multiconfigurational character in correlated wave functions
Authors: Gordon, MS Schmidt, MW Chaban, GM Glaesemann, KR Stevens, WJ Gonzalez, C
Citation: Ms. Gordon et al., A natural orbital diagnostic for multiconfigurational character in correlated wave functions, J CHEM PHYS, 110(9), 1999, pp. 4199-4207
Risultati: 1-12 |