Journal of Chemical Physics

Journal of Chemical Physics, Vol.110, No.20 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (47 articles)

9785 - 9788	Direct observation of the femtosecond nonradiative dynamics of azulene in a molecular beam: The anomalous behavior in the isolated molecule Diau EWG, De Feyter S, Zewail AH
9789 - 9792	Variation of the resonance width of HOCl(6 nu(OH)) with total angular momentum: Comparison between ab initio theory and experiment Skokov S, Bowman JM
9793 - 9806	What can short-pulse pump-probe spectroscopy tell us about Franck-Condon dynamics? Shen YC, Cina JA
9807 - 9811	The variations of the hardness and the Kohn-Sham Fukui function under an external perturbation Fuentealba P, Cedillo A
9812 - 9820	The penalty method for random walks with uncertain energies Ceperley DM, Dewing M
9821 - 9824	Fluctuations in a small hard-disk system: Implicit finite size effects Roman FL, White JA, Gonzalez A, Velasco S
9825 - 9832	Monotonically convergent algorithm for quantum optimal control with dissipation Ohtsuki Y, Zhu WS, Rabitz H
9833 - 9841	Optimal coordinates for separable approximations in quantum dynamics of polyatomic systems: Coordinate choice criteria and error estimates Jungwirth P, Roeselova M, Gerber RB
9842 - 9852	Practical formulation of accurate many-body potentials through the perturbative extension of diatomics-in-ionic-systems: Applied to HF clusters Ovchinnikov M, Apkarian VA
9853 - 9864	Longer time steps for molecular dynamics Izaguirre JA, Reich S, Skeel RD
9865 - 9876	Mapped Fourier methods for long-range molecules: Application to perturbations in the Rb-2(O-u(+)) photoassociation spectrum Kokoouline V, Dulieu O, Kosloff R, Masnou-Seeuws F
9877 - 9886	Linear response theory for the polarizable continuum model Cammi R, Mennucci B
9887 - 9897	The unimolecular dissociation of HCO. IV. Variational calculation of Siegert states Keller HM, Schinke R
9898 - 9907	Structure and vibrations of phenol (H2O)(7,8) studied by infrared-ultraviolet and ultraviolet-ultraviolet double-resonance spectroscopy and ab initio theory Janzen C, Spangenberg D, Roth W, Kleinermanns K
9908 - 9914	Observation of D2H+ (or H2D+) products in coincidence with excited H, or (D) atoms in the reaction of D-2(+) with H-2 Jugi B, Dhuicq D, Benoit C, Sidis V
9915 - 9921	Bonding character of bimetallic clusters AunXm (X = Al, In, Cs) Heinebrodt M, Malinowski N, Tast F, Branz W, Billas IML, Martin TP
9922 - 9936	Semiclassical molecular dynamics simulations of excited state double-proton transfer in 7-azaindole dimers Guallar V, Batista VS, Miller WH
9937 - 9947	Theoretical study on the spin-forbidden predissociation reaction of N2O: Ab initio potential energy surfaces and quantum dynamics calculations Nakamura H, Kato S
9948 - 9955	Photodissociation spectroscopy of the Mg+-Ne complex Reddic JE, Duncan MA
9956 - 9960	Hydrogen atom release from methyl groups of energized molecules Min ZY, Wong TH, Bersohn R
9961 - 9970	Vibrational predissociation dynamics in the vibronic states of the aniline-neon van der Waals complex: New features revealed by complementary spectroscopic approaches Becucci M, Lakin NM, Pietraperzia G, Castellucci E, Brechignac P, Coutant B, Hermine P
9971 - 9981	The dynamics of the hydrogen exchange reaction at 2.20 eV collision energy: Comparison of experimental and theoretical differential cross sections Wrede E, Schnieder L, Welge KH, Aoiz FJ, Banares L, Castillo JF, Martinez-Haya B, Herrero VJ
9982 - 9988	Coupled-cluster ab initio investigation of singlet triplet CH2S isomers and the reaction of atomic carbon with hydrogen sulfide to HCS HSC Ochsenfeld C, Kaiser RI, Lee YT, Head-Gordon M
9989 - 9996	The weakly bound complex CH4-H-2: Observation and analysis of infrared spectra in the 350 and 1311 cm(-1) regions McKellar ARW, Roth DA, Pak I, Winnewisser G
9997 - 10007	Angular distributions of photoelectrons ejected from fixed-in-space molecules of C-3v symmetry group Kuznetsov VV, Cherepkov NA, Fecher GH, Schonhense G
10008 - 10015	Condensation of isolated metal clusters studied with a calorimeter Bachels T, Tiefenbacher F, Schafer R
10016 - 10023	Electron-ion recombination rate constant in dense gaseous argon and krypton Wojcik M, Tachiya M
10024 - 10034	Ion conductance in electrolyte solutions Chandra A, Bagchi B
10035 - 10045	Free energy of embryo formation for heterogeneous multicomponent nucleation Gorbunov B
10046 - 10057	Methanol-acetonitrile complexes trapped in argon and nitrogen matrices: Infrared induced isomerization and theoretical calculations Coussan S, Bouteiller Y, Perchard JP, Brenner V, Millie P, Zheng WQ, Talbot F
10058 - 10066	Crossover scales at the critical points of fluids with electrostatic interactions Moreira AG, da Gama MMT, Fisher ME
10067 - 10075	Smooth landscape solvent dynamics in electron transfer reactions Leite VBP
10076 - 10085	Concentration dependence of the band profile parameters for the nu(3) (C-12 = O) Raman band of acetone in acetone-CCl4 binary mixtures: Experimental and Monte Carlo simulation results and their interpretation Musso M, Torii H, Giorgini MG, Doge G
10086 - 10094	Density matrix for an excess electron in a classical fluid: Results for a one-dimensional system Sethia A, Hirata F, Singh Y
10095 - 10112	Self-consistent description of a metal-water interface by the Kohn-Sham density functional theory and the three-dimensional reference interaction site model Kovalenko A, Hirata F
10113 - 10122	Intermolecular interactions of liquid dichloromethane and equilibrium properties of liquid-vapor and liquid-liquid interfaces: A molecular dynamics study Dang LX
10123 - 10133	Determination of interaction potentials of amino acids from native protein structures: Tests on simple lattice models van Mourik J, Clementi C, Maritan A, Seno F, Banavar JR
10134 - 10140	Relaxation behavior in model compounds of poly(aryl-ether-ketone-ketone) as revealed by dielectric spectroscopy Ezquerra TA, Zolotukhin M, Privalko VP, Balta-Calleja FJ, Nequlqueo G, Garcia C, de la Campa JG, de Abajo J
10141 - 10152	Protein flexibility in solution and in crystals Eastman P, Pellegrini M, Doniach S
10153 - 10161	Adsorption of human serum albumin: Dependence on molecular architecture of the oppositely charged surface Sukhishvili SA, Granick S
10162 - 10170	The effect of Coulomb interactions on transport processes in one-dimensional systems such as discotic liquid crystals Siebbeles LDA, Movaghar B
10171 - 10187	Polymer dynamics in bimodal polyethylene melts: A study with neutron spin echo spectroscopy and pulsed field gradient nuclear magnetic resonance Rathgeber S, Willner L, Richter D, Brulet A, Farago B, Appel M, Fleischer G
10188 - 10202	Neutron spin echo investigation of the concentration fluctuation dynamics in melts of diblock copolymers Montes H, Monkenbusch M, Willner L, Rathgeber S, Fetters L, Richter D
10203 - 10211	Chain dynamics in the nematic melt of an aromatic liquid crystalline copolyester: A molecular dynamics simulation study Bharadwaj R, Boyd RH
10212 - 10215	Observation of the molten globule state in a Monte Carlo simulation of the coil-to-globule transition of a homopolymer chain Liang HJ
10216 - 10217	Photoelectron spectrum of PdO- Klopcic SA, Moravec VD, Jarrold CC
10218 - 10218	Calculating atomic properties using variational Monte Carlo (vol 103, pg 2572, 1995) Alexander SA, Coldwell RD