Journal of Chemical Physics
15 Feb 1997, V106, N7.
%T A semi-empirical scheme for generalized valence bond calculations on water
complexes
%A Youliang Wang and John Gunn
%T Erratum: Reverse Monte Carlo analysis of neutron diffraction results.
Water around its critical point [J.Chem.Phys.105, 2391 (1996)]
%A Pal Jedlovszky and Renzo Vallauri
%T Two-dimensional Raman spectroscopy of the intermolecular modes of liquid
CS{_2}
%A A.Tokmakoff and G.R.Fleming
%T Strongly mixed resonances in the photofragmentation of HeBr{_2} near
Br{_2}(B) dissociation. Stabilization and close-coupling studies
%A Tomas Gonzalez-Lezana, Marta I.Hernandez, Gerardo Delgado-Barrio,
and Pablo Villarreal
%T Multi-reference CI calculations of electronic
g-tensors for NO{_2}, H{_2}O{^+} and CO{^+}
%A G.H.Lushington and F.Grein
%T Adsorption and decomposition of formic acid on MgO(001) surface as
investigated by temperature programmed desorption and sum-frequency
generation spectroscopy. Recurrence induced defect sites
%A Hiroyoshi Yamamoto, Nobuyuki Watanabe, Akihide Wada, Kazunari Domen, and
Chiaki Hirose
%T Reactivity induced by complex formation. The reaction of O({^3}P) with HC1
dimers
%A Y.Hurwitz, P.Stern, R.Naaman, and A.B.McCoy
%T A perturbation molecular orbital theory of electron-transfer rates
%A Ralph C.Dougherty
%T Erratum: Binarey nucleation kinetics. A matrix method
[J.Chem.Phys.101, 9997 (1994)]
%A Hanna Arstila, Pentti Paatero, Markku Kulmala, and Ari Laaksonen
%T Low energy (<5 eV)F{^+} and F{^-} ion transmission through
condensed layers of water
%A Mustafa Akbulut, Theodore E.Madey, and Peter Nordlander
%T Theoretical study of vibronic spectra and photodissociation pathways of
methane
%A Alexander M.Mebel, Sheng-Hsien Lin, and Chung-Hung Chang
%T Semiclassical theory of multi-channel curve crossing problems.
Landau-Zener case
%A Chaoyuan Zhu and Hiroki Nakamura
%T Two-color resonant four-wave mixing. Analytical expressions for signal
intensity
%A Skip Williams, Eric A.Rohlfing, Larry A.Rahn, and Richard N.Zare
%T A first-principles simulation of the semiconductor/water interface
%A C.P.Ursenbach, August Calhoun, and Gregory A.Voth
%T On the coherent vibrational phase in polarisation
sensitive resonance CARS spectroscopy of copper tetraphenylporphyrin
%A Artemy Voroshilov, Cees Otto, and Jan Greve
%T Fast beam photodissociation spectroscopy and dynamics of the vinoxy
radical
%A David L.Osborn, Hyeon Choi, David H.Mordaunt, Ryan T.Bise,
Daniel M.Neumark, and Celeste McMichael Rohlfing
%T The dissociation energies of NF (X{^3}{SIGMA}{^-}) and
NCl (X{^3}{1/2}{^-})
%A Sotiris S.Xantheas, Thom H.Dunning, and Aristides Mavridis
%T Infrared spectra of vaporized Pt and Pt + H{_2} in rare-gas matrices.
Unique phonon effects
%A S.Li, H.A.Weimer, R.J.Van Zee, and W.Weltner, Jr.
%T Geometries and energy separations of electronic states
of AsCl{_2}, AsBr{_2}, AsCl{_2}+, and AsBr{_2}{^+}
%A Lida Latifzadeh-Masoudipour and K.Balasubramanian
%T The microwave spectrum of the NH{_2} radical. The hyperfine structure of
the {^2}B{_1} groung electronic state
%A Mizuho Tonooka, Satoshi Yamamoto, Kaori Kobayashi, and Shuji Saito
%T Ab initio calculations of the interaction of He with the
B{^3}{ZETA}{_0u}+ state of Cl{_2} as a function of the Cl{_2}
internuclear separation
%A A.Rohrbacher, J.Williams, K.C.Janda, S.M.Cybulski, R.Burcl,
M.M.Szczesniak, G.Chalasinski, and N.Halberstadt
%T Model study of near-threshold photoionization of large molecules. The
effect of vibrational relaxation
%A Michael Thoss and Wolfgang Domcke
%T Theoretical study of the valence ionization
energies and electron affinities of linear C{_2n+1} (n=1-6) clusters
%A M.Ohno, V.G.Zakrzewski, J.V.Ortiz, and W.von Niessen
%T The chemistry of the superheavy elements. I. Pseudopotentials for 111 and
112 and relativistic coupled cluster calculations for (112)H{^+},
(112)F{_2} and (112)F{_4}
%A Michael Seth, Peter Schwerdtfeger, and Michael Dolg
%T Reactions of translationally excited and thermal
fluorine atoms with CH{_4} and CD{_4} molecules in solid argon
%A E.Ya.Misochko, V.A.Benderskii, A.U.Goldschleger, A.V.Akimov,
A.V.Benderskii, and C.A.Wight
%T The Rydberg spectrum of CaF and BaF. Calculation by R-matrix and generated
quantum defect theory
%A M.Arif, Ch.Jungen, and A.L.Roche
%T Manipulating external degrees of freedom with
intense light. Laser-focusing and trapping of molecules
%A Tamar Seideman
%T Structure, binding energy, and intermolecular modes
for the aniline/ammonia van der Waals clusters
%A Jose A.Fernandez and Elliot R.Bernstein
%T The orientation of acetate on a TiO{_2}(110) surface
%A Q.Guo, I.Cocks, and E.M.Williams
%T On the transition from nonadiabatic to adiabatic rate kernel. Schwinger's
stationary variational principle and Pade approximation
%A Minhaeng Cho and Robert J.Silbey
%T Cavitation model of electron solvation dynamics. Effect of energy
dissipation
%A Ilya Rips
%T Discrepancies in turbidity measurements in the ionic binary mixture
triethyl n-hexyl ammonium triethyl n-hexyl boride in diphenyl ether
%A S.Wiegand, J.M.H.Levelt Sengers, K.J.Zhang, M.E.Briggs, and R.W.Gammon
%T Local volume fraction fluctuations in random media
%A J.Quintanilla and S.Torquato
%T Local free energy calculations in simulations
%A Margot J.Vlot and Jan P.van der Eerden
%T Effects of external electric field on semidilute polymer solutions probed
by dynamic light scattering
%A C.H.Wang and Q.R.Huang
%T Effect of close contacts on the radius of gyration of a polymer
%A Robert Zwanzig
%T Hopping reactions of charged particles
%A A.I.Burshtein and S.G.Fedorenko
%T Structure of inhomogeneous dipolar fluids. A density functional approach
%A Chandra N.Patra and Swapan K.Ghosh
%T Modeling orientational randomization in zeolites.
A new probe of intracage mobility, diffusion and cation disorder
%A Scott M.Auerbach and Horia I.Metiu
%T Dependency of swelling on the length of subchain
in poly(N,N-dimethylacrylamide)-based gels
%A Lev Bromberg, Alexander Yu.Grosberg, Eriko Sato Matsuo, Yasuo Suzuki, and
Toyoichi Tanaka
%T Predictions of thermoreversible volume phase
transitions in copolymer gels by lattice fluid hydrogen bond theory
%A A.K.Lele, I.Devotta, and R.A.Mashelkar
%T Measurement of the hydrodynamic corrections to the Brownian motion of two
colloidal spheres
%A John C.Crocker
%T Dynamics of coarse-grained helical wormlike chains. III. First cumulant of
the dynamic structure factor
%A Takenao Yoshizaki, Masashi Osa, and Hiromi Yamakawa
%T Pseudo ensemble simulations and Gibbs-Duhem integrations for polymers
%A Fernando A.Escobedo and Juan J.de Pablo
%T The glass transition dynamics of polymer micronetwork colloids. A mode
coupling analysis
%A E.Bartsch, V.Frenz, J.Baschnagel, W.Schartl, and H.Sillescu