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Results: 1-25/33
Authors:
Cohen, A
Niv, MY
Gerber, RB
Citation: A. Cohen et al., Formation of novel rare-gas-containing molecules by molecular photodissociation in clusters, FARADAY DIS, 118, 2001, pp. 269-280
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
Authors:
Chaban, G
Gerber, RB
Korolkov, MV
Hanz, J
Niv, MY
Schmidt, B
Citation: G. Chaban et al., Photodissociation dynamics of molecular fluorine in an argon matrix induced by ultrashort laser pulses, J PHYS CH A, 105(12), 2001, pp. 2770-2782
Authors:
Gerber, RB
Kavuru, M
Citation: Rb. Gerber et M. Kavuru, Does salmeterol increase in patients with COPD?, CLEV CLIN J, 68(7), 2001, pp. 600-601
Authors:
Bihary, Z
Gerber, RB
Apkarian, VA
Citation: Z. Bihary et al., Vibrational self-consistent field approach to anharmonic spectroscopy of molecules in solids: Application to iodine in argon matrix, J CHEM PHYS, 115(6), 2001, pp. 2695-2701
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
Authors:
Bihary, Z
Karavitis, M
Gerber, RB
Apkarian, VA
Citation: Z. Bihary et al., Spectral inhomogeneity induced by vacancies and thermal phonons and associated observables in time- and frequency-domain nonlinear spectroscopy: I-2 isolated in matrix argon, J CHEM PHYS, 115(17), 2001, pp. 8006-8013
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
Authors:
Wright, NJ
Gerber, RB
Citation: Nj. Wright et Rb. Gerber, Extending the vibrational self-consistent method: Using a partially separable wave function for calculating anharmonic vibrational states of polyatomic molecules, J CHEM PHYS, 114(20), 2001, pp. 8763-8768
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
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
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
Authors:
Altshuler, ES
Mills, DL
Gerber, RB
Citation: Es. Altshuler et al., Simulations of hydrogen diffusion on BCC metal (110) surfaces; coverage and temperature dependence, SURF SCI, 452(1-3), 2000, pp. 95-107
Authors:
Knipping, EM
Lakin, MJ
Foster, KL
Jungwirth, P
Tobias, DJ
Gerber, RB
Dabdub, D
Finlayson-Pitts, BJ
Citation: Em. Knipping et al., Experiments and simulations of ion-enhanced interfacial chemistry on aqueous NaCl aerosols, SCIENCE, 288(5464), 2000, pp. 301-306
Authors:
Chase, D
Manning, M
Morgan, JA
Nathanson, GM
Gerber, RB
Citation: D. Chase et al., Argon scattering from liquid indium: Simulations with embedded atom potentials and experiment, J CHEM PHYS, 113(20), 2000, pp. 9279-9287
Authors:
Niv, MY
Bargheer, M
Gerber, RB
Citation: My. Niv et al., Photodissociation and recombination of F-2 molecule in Ar-54 cluster: Nonadiabatic molecular dynamics simulations, J CHEM PHYS, 113(16), 2000, pp. 6660-6672
Authors:
Baumfalk, R
Nahler, NH
Buck, U
Niv, MY
Gerber, RB
Citation: R. Baumfalk et al., Photodissociation of HBr adsorbed on the surface and embedded in large Ar-n clusters, J CHEM PHYS, 113(1), 2000, pp. 329-338
Authors:
Wright, NJ
Gerber, RB
Citation: Nj. Wright et Rb. Gerber, Direct calculation of anharmonic vibrational states of polyatomic molecules using potential energy surfaces calculated from density functional theory, J CHEM PHYS, 112(6), 2000, pp. 2598-2604
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
Authors:
Gerber, RB
Korolkov, MV
Manz, J
Niv, MY
Schmidt, B
Citation: Rb. Gerber et al., A reflection principle for the control of molecular photodissociation in solids: model simulation for F-2 in Ar, CHEM P LETT, 327(1-2), 2000, pp. 76-84
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
Authors:
Wright, NJ
Gerber, RB
Tozer, DJ
Citation: Nj. Wright et al., Direct calculation of anharmonic vibrational states of polyatomic molecules using density functional theory: spectroscopic tests of recently developed functionals, CHEM P LETT, 324(1-3), 2000, pp. 206-212
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
Authors:
Gregurick, SK
Liu, JHY
Brant, DA
Gerber, RB
Citation: Sk. Gregurick et al., Anharmonic vibrational self-consistent field calculations as an approach to improving force fields for monosaccharides, J PHYS CH B, 103(17), 1999, pp. 3476-3488
Authors:
Seong, J
Sun, H
Ratner, MA
Schatz, GC
Gerber, RB
Citation: J. Seong et al., Vibrational predissociation rates and final state distributions for He-ICIand He-I-2 using a computationally simple method, J PHYS CH A, 102(47), 1999, pp. 9345-9352