The Journal of Chemical Physics, 2000, March 15, V 112, N 11.

TE Convergent summation of Moller-Plesset perturbation theory
AU David Z.Goodson
PP 4901-4909

TE Approximate calculation of femtosecond pump-probe spectra
monitoring nonadiabatic excited-state dynamics
AU Stefan Dilthey, Susanne Hahn, and Gerhard Stock
PP 4910-4922

TE Critical points and reaction paths characterization on a
potential energy hypersurface
AU Marie-Noeelle Ramquet, Georges Dive, and Dominique Dehareng
PP 4923-4934

TE Are properties derived from variance-optimized wave functions
generally more accurate? Monte Carlo study of non-energy-related
properties of H_{2}, He, and LiH
AU Martin Snajdr and Stuart M.Rothstein
PP 4935-4941


TE Infrared spectroscopy of ArOH: A direct probe of the Ar+OHn n X^{2}Pi potential energy surface AU R.Timothy Bonn, Martyn D.Wheeler, and Marsha I.Lester PP 4942-4951 TE Ab initio potential energy surface for the Ar(^{1}S)+OH(X^{2}Pi) interaction and bound rovibrational states AU Jacek Klos, Grzegorz Chalasinski, Mary T.Berry, Rick A.Kendall, Rudolf Burcl, M.M.Szczesniak, and Slawomir M.Cybulski PP 4952-4958 TE A selected ion flow tube study of the reactions of small C_{m}H_{n}^{+} ions with O atoms AU Graham B.I.Scott, Daniel B.Milligan, David A.Fairley, Colin G.Freeman, and Murray J.McEwan PP 4959-4965 TE Negative ion photoelectron spectroscopy of OH^{-}(NH_{3}) AU Rebecca L.Schwartz, Gustavo E.Davico, Joseph B.Kim, and W.Carl Lineberger PP 4966-4973 TE Photodissociation spectroscopy of the Ca^{+}-Ne complex AU J.E.Reddic, S.H.Pullins, and M.A.Duncan PP 4974-4982 TE An energy-resolved study of the partial fragmentation dynamics of Ar-HCl into H+Ar-Cl after ultraviolet photodissociation AU J.C.Juanes-Marcos and A.Garcia-Vela PP 4983-4993 TE Crossed beam reaction of phenyl radicals with unsaturated hydrocarbon molecules. I. Chemical dynamics of phenylmethylacetylene (C_{6}H_{5}CCCH_{3};X ^{1}A') formation from reaction of C_{6}H_{5}(X ^{2}A_{1}) with methylacetylene, CH_{3}CCH(X ^{1}A_{1}) AU R.I.Kaiser, O.Asvany, Y.T.Lee, H.F.Bettinger, P.v.R.Schleyer, and H.F.Schaefer III PP 4994-5001 TE Coupling between the internal rotation of the methyl group and proton/deuteron transfer in jet-cooled 5-methyl-9-hydroxyphenalenone(OH) and 5-methyl-9-hydroxyphenalenone(OD): Tunneling rate dependence of coupling potential AU Kaori Nishi, Hiroshi Sekiya, Tomoyuki Mochida, Tadashi Sugawara, and Yukio Nishimura PP 5002-5011 TE Anisotropic Coulomb explosion of C_{60} irradiated with a high-intensity femtosecond laser pulse AU Junkei Kou, Vasilii Zhakhovskii, Shuji Sakabe, Katsunobu Nishihara, Seiji Shimizu, Sakae Kawato, Masaki Hashida, Keisuke Shimizu, Sergei Bulanov, Yasukazu Izawa, Yoshiaki Kato, and Nobuaki Nakashima PP 5012-5020 TE Theoretical description of the nonlinear response functions associated with eight distinctive three-dimensional vibrational spectroscopies AU Kisam Park and Minhaeng Cho PP 5021-5036 TE Experimental and theoretical study of the electronic spectrum of the BAr_{2} complex: Transition to the excited valence B(2s2p^{2} ^{2}D) state AU Jennifer R.Krumrine, Millard H.Alexander, Xin Yang, and Paul J.Dagdigian PP 5037-5043 TE An accurate semiclassical calculation of collision-induced dissociation AU Kazuhiro Sakimoto PP 5044-5053 TE Quantum dynamics of photoexcited cyclohexadiene introducing reactive coordinates AU Angelika Hofmann and Regina de Vivie-Riedle PP 5054-5059 TE Studying vibrational wavepacket dynamics by measuring fluorescence interference fluctuations AU Ch.Warmuth, A.Tortschanoff, F.Milota, M.Shapiro, Y.Prior, I.Sh.Averbukh, W.Schleich, W.Jakubetz, and H.F.Kauffmann PP 5060-5069 TE Vibrations of the carbon dioxide dimer AU Hua Chen and J.C.Light PP 5070-5080 TE Driving wave packet recurrences with optimally modulated laser pulses AU Boyd M.Goodson, Debabrata Goswami, Herschel Rabitz, and Warren S.Warren PP 5081-5090

TE Equivalence between the "classical" and the "Warren" approaches for the effects of long range dipolar couplings in liquid nuclear magnetic resonance AU J.Jeener PP 5091-5094 TE Demonstration of quantum logic gates in liquid crystal nuclear magnetic resonance AU Malgorzata Marjanska, Isaac L.Chuang, and Mark G.Kubinec PP 5095-5099 TE Critical localization of confined phonons in finite size admonolayers AU V.Pouthier and C.Girardet PP 5100-5104 TE Analysis of the intramolecular charge transfer in donor-acceptor alpha,alpha'-substituted oligothiophenes from their vibrational spectra AU V.Hernandez, J.Casado, F.Effenberger, and J.T.Lopez Navarrete PP 5105-5112 TE Fourier transform infrared isotopic study of the C_{12} chain trapped in solid Ar AU X.D.Ding, S.L.Wang, C.M.L.Rittby, and W.R.M.Graham PP 5113-5120 TE Line of triple points for the hard-core Yukawa model: A computer simulation study AU Fouad El Azhar, Marc Baus, Jean-Paul Ryckaert, and Evert Jan Meijer PP 5121-5126 TE Vibrational dynamics of hydrogen-bonded HCl-diethyl ether complexes AU I.A.M.E.Giebels, M.A.F.H.van den Broek, M.F.Kropman, and H.J.Bakker PP 5127-5132

TE Structures and stability of CO layers on the MgO(001) surface AU A.K.Sallabi and D.B.Jack PP 5133-5143 TE An energy-based mapping method for identifying the in-plane orientations of polypeptides and other macromolecules at crystalline interfaces AU Yaohua Dai and John Spencer Evans PP 5144-5157 TE Accurate ab initio determination of magnetic interactions and hopping integrals in La_{2-x}Sr_{x}CuO_{4} systems AU Carmen J.Calzado, Javier F.Sanz, and Jean Paul Malrieu PP 5158-5167 TE Computer simulation studies of a square-well fluid in a slit pore. Spreading pressure and vapor-liquid phase equilibria using the virtual-parameter-variation method AU Horst L.Voertler and William R.Smith PP 5168-5174 TE Geometry dependent critical exponents at complete wetting AU C.Rascon and A.O.Parry PP 5175-5180 TE Analysis of the susceptibility minimum observed in 0.4Ca(NO_{3})_{2}-0.6KNO_{3} by dielectric spectroscopy and light scattering AU R.Casalini, K.L.Ngai, and C.M.Roland PP 5181-5189 TE Fluorine atom abstraction by Si(100) II. Model AU M.R.Tate, D.P.Pullman, Y.L.Li, D.Gosalvez-Blanco, A.A.Tsekouras, and S.T.Ceyer PP 5190-5204

TE Effect of H-bond active sites on transport properties of poly(ethylene oxide) dissolved in its monomers: Shear viscosity and diffusion coefficient studies AU V.Crupi, A.Faraone, G.Maisano, D.Majolino, P.Migliardo, V.Venuti, and V.Villari PP 5205-5211 TE Self-organization and mismatch tolerance in protein folding: General theory and an application AU Ariel Fernandez and R.Stephen Berry PP 5212-5222 TE Coarsely resolved topography along protein folding pathways AU Ariel Fernandez, Konstantin S.Kostov, and R.Stephen Berry PP 5223-5229 TE The nonplanarity of the peptide group: Molecular dynamics simulations with a polarizable two-state model for the peptide bond AU Steven W.Rick and R.E.Cachau PP 5230-5241

TE A new density functional approach to nonuniform Lennard-Jones fluids AU Shiqi Zhou and Eli Ruckenstein PP 5242-5243