Journal of Chemical Physics, 2000, V 113, N 16, 22 October.

TE A summation procedure that improves the accuracy of the
fourth-order Moller-Plesset perturbation theory
AU David Z.Goodson
PP 6461-6464

TE An experimental and computational study of the methyl 
radical ultraviolet spectrum
AU Jaron C.Hansen, Yumin Li, Joseph S.Francisco, Joseph 
and M.Matti Maricq
PP 6465-6468


TE Quantum solvation and molecular rotations in superfluid helium clusters AU Yongkyung Kwon, Patrick Huang, Mehul V.Patel, Doerte Blume, and K.Birgitta Whaley PP 6469-6501

TE Lattice and spin polarons in two dimensions AU Y.Zhao, G.H.Chen, and L.Yu PP 6502-6508 TE Excited states theory for optimized orbitals and valence optimized orbitals coupled-cluster doubles models AU Anna I.Krylov, C.David Sherrill, and Martin Head-Gordon PP 6509-6527 TE Reactive scattering on multiple electronic surfaces: Collinear A+BC-->AB+C reaction AU Changkyun Shin and Seokmin Shin PP 6528-6535 TE A test of the dependence of an optimal control field on the number of molecular degrees of freedom: HCN isomerization AU Suhail P.Shah and Stuart A.Rice PP 6536-6541 TE Three novel high-resolution nonlinear methods for fast signal processing AU Dz.Belkic, P.A.Dando, J.Main, and H.S.Taylor PP 6542-6556 TE Quantized Hamilton dynamics AU Oleg V.Prezhdo and Yu.V.Pereverzev PP 6557-6565 TE Geometry optimization of large biomolecules in redundant internal coordinates AU Bela Paizs, Jon Baker, Sandor Suhai, and Peter Pulay PP 6566-6572 TE A method whereby Onsager coefficients may be evaluated AU Janet A.W.Elliott, Heidi Y.Elmoazzen, and Locksley E.McGann PP 6573-6578 TE Reactions of iron clusters with oxygen and ethylene: Observation of particularly stable species AU F.Huisken, B.Kohn, R.Alexandrescu, and I.Morjan PP 6579-6584 TE Collision-induced bound state motion in I_{2}. A classical molecular dynamics study AU V.A.Ermoshin, V.Engel, and C.Meier PP 6585-6591 TE Convergence testing of the analytic representation of an ab initio dipole moment function for water: Improved fitting yields improved intensities AU David W.Schwenke and Harry Partridge PP 6592-6597 TE Resonance-state selective photodissociation of OCS (2 ^{1}Sigma^{+}): Rotational and vibrational distributions of CO fragments AU Ryuji Itakura, Akiyoshi Hishikawa, and Kaoru Yamanouchi PP 6598-6607 TE Probing the lowest coordination number of dianionic platinum-cyanide complexes in the gas phase: Dynamics of the charge dissociation process AU Gustav Bojesen, Preben Hvelplund, Thomas J.D.Jorgensen, and Steen Brondsted Nielsen PP 6608-6612 TE Structure and stability of Na_{6}Pb clusters AU Young-Kyu Han and Kimihiko Hirao PP 6613-6617 TE New millimeter wave and infrared spectra of the CO dimer: Assignment and precise location of quantum states AU Kaley A.Walker, Changhong Xia, and A.R.W.McKellar PP 6618-6623 TE The Li_{2} F ^{1}Sigma_{g}^{+} "shelf" state: Accurate potential energy curve based on the inverted perturbation approach AU A.Pashov, W.Jastrzebski, and P.Kowalczyk PP 6624-6628 TE Femtosecond polarization spectroscopy in molecular gas mixtures: Macroscopic interference and concentration measurements AU Edouard Hertz, Bruno Lavorel, Olivier Faucher, and Roland Chaux PP 6629-6633 TE Angular distribution of ionic fragments in the dissociation of SO_{2}^{2+} AU Toshio Masuoka and Ataru Kobayashi PP 6634-6639 TE A statistical approach for the study of singlet-triplet interactions in small polyatomic molecules AU Selen Altunata and Robert W.Field PP 6640-6651 TE Aggregation of water molecules: Atmospheric implications AU Glenn T.Evans and Veronica Vaida PP 6652-6659 TE Photodissociation and recombination of F_{2} molecule in Ar_{54} cluster: Nonadiabatic molecular dynamics simulations AU M.Y.Niv, M.Bargheer, and R.B.Gerber PP 6660-6672 TE Direct observation of the steric effect in Penning ionization reaction of Ar^{*}+CHCl_{3}-->CHCl_{2}^{+}+Cl+e^{-}+Ar AU Masanori Yamato, Seiki Okada, Victor Wei-Keh Wu, Hiroshi Ohoyama, and Toshio Kasai PP 6673-6676 TE Full configuration interaction benchmarking of coupled-cluster models for the lowest singlet energy surfaces of N_{2} AU Helena Larsen, Jeppe Olsen, Poul Jorgensen, and Ove Christiansen PP 6677-6686 TE Water pair potential of near spectroscopic accuracy. I. Analysis of potential surface and virial coefficients AU Eric M.Mas, Robert Bukowski, Krzysztof Szalewicz, Gerrit C.Groenenboom, Paul E.S.Wormer, and Ad van der Avoird PP 6687-6701 TE Water pair potential of near spectroscopic accuracy. II. Vibration-rotation-tunneling levels of the water dimer AU G.C.Groenenboom, P.E.S.Wormer, A.van der Avoird, E.M.Mas, R.Bukowski, and K.Szalewicz PP 6702-6715 TE Theoretical evidence for a bound doubly-excited ^{1}B_{2}(C 1s,n-->pi^{*2}) state in H_{2}CO below the C 1s ionization threshold AU A.B.Trofimov, E.V.Gromov, T.E.Moskovskaya, and J.Schirmer PP 6716-6723 TE Applications of a variational coupled-electron pair approach to the calculation of intermolecular interaction in the framework of the VB theory: Study of the van der Waals complex He-CH_{4} AU Roberto Specchio, Antonino Famulari, Rocco Martinazzo, and Mario Raimondi PP 6724-6735 TE A theoretical approach to the O(^{1}D)+H_{2}O(X ^{1}A_{1}) reaction: Ab initio potential energy surface and quasiclassical trajectory dynamics study AU R.Sayos, Carolina Oliva, and Miguel Gonzalez PP 6736-6747 TE Theoretical study of the dynamics, stereodynamics, and microscopic mechanism of the O(^{1}D)+CH_{4}(X ^{1}A_{1})--> OH(X ^{2}Pi)+CH_{3}(X ^{2}A_{2}") reaction AU Miguel Gonzalez, Jordi Hernando, Maria P.Puyuelo, and R.Sayos PP 6748-6759 TE Far-ultraviolet resonance Raman spectroscopy of nitrate ion in solution AU Mark R.Waterland and Anne Myers Kelley PP 6760-6773 TE Homogeneous nucleation rates of n-pentanol in nitrogen measured in a piston-expansion tube AU A.Grasmann and F.Peters PP 6774-6781 TE Induced-dipole contributions to the conductivity and dielectric response of molten ZnCl_{2} AU Angus Gray-Weale, Paul A.Madden, and Mark Wilson PP 6782-6787 TE Reorientational disorder of anions in the hydrogen sulfides of sodium and potassium (NaDS and KDS) investigated by neutron diffraction between T=4 K and T=470 K AU F.Haarmann, H.Jacobs, and W.Kockelmann PP 6788-6794 TE Solid effect in the electron spin dressed state: A new approach for dynamic nuclear polarization AU V.Weis, M.Bennati, M.Rosay, and R.G.Griffin PP 6795-6802 TE Infrared spectra of cesium chloride aqueous solutions AU Jean-Joseph Max and Camille Chapados PP 6803-6814 TE Structural and thermodynamic description of supercritical argon with ab initio potentials AU Jean-Marc Bomont, Jean-Louis Bretonnet, Till Pfleiderer, and Helmut Bertagnolli PP 6815-6821 TE Thermodynamics of heterogeneous multicomponent condensation on mixed nuclei AU Y.S.Djikaev and D.J.Donaldson PP 6822-6830 TE Microscopic model of carbon monoxide binding to myoglobin AU Benjamin H.McMahon, Branko P.Stojkovic, P.Jeffrey Hay, Richard L.Martin, and Angel E.Garcia PP 6831-6850 TE Simulated structure, dynamics, and vibrational spectra of liquid benzene AU Riccardo Chelli, Gianni Cardini, Piero Procacci, Roberto Righini, Salvatore Califano, and Andreas Albrecht PP 6851-6863 TE Potential-dependence of CO adlayer structures on Pt(111) electrodes in acid solution: Evidence for a site selective charge transfer AU Walther Akemann, Kaspar Andreas Friedrich, and Ulrich Stimming PP 6864-6874 TE Transport diffusion of argon in AlPO_{4}-5 from equilibrium molecular dynamics simulations AU J.P.Hoogenboom, H.L.Tepper, N.F.A.van der Vegt, and W.J.Briels PP 6875-6881 TE Dynamics of ammonia decomposition on Ru(0001) AU H.Mortensen, L.Diekhoener, A.Baurichter, E.Jensen, and A.C.Luntz PP 6882-6887 TE Thermal conductivity of diamond and related materials from molecular dynamics simulations AU Jianwei Che, Tahir Cag"n, Weiqiao Deng, and William A.Goddard III PP 6888-6900 TE A simple model for associative desorption and dissociative chemisorption AU A.C.Luntz PP 6901-6905 TE Diffusion and reaction in rectangular arrays of spheroids AU Shih-Yuan Lu PP 6906-6915 TE Temperature dependence of atomic hydrogen-induced surface processes on Ge(100): Thermal desorption, abstraction, and collision-induced desorption AU S.Shimokawa, A.Namiki, M.N.-Gamo, and T.Ando PP 6916-6925 TE Energetics of hydrogen chemisorbed on Cu(110): A first principles calculations study AU ChinSung Bae, David L.Freeman, J.D.Doll, G.Kresse, and J.Hafner PP 6926-6932 TE Molecular simulation study of water-methanol mixtures in activated carbon pores AU Abhijit V.Shevade, Shaoyi Jiang, and Keith E.Gubbins PP 6933-6942 TE A four-site model for elongated liquid crystal molecules AU J.C.Lee PP 6943-6949 TE The writhe distribution in DNA plasmids as derived from the free energy of supercoiling AU Irwin Tobias PP 6950-6956 TE The temperature and polymerization effects on the relaxation time and conductivity, and the evolution of the localized motions AU E.Tombari, G.Salvetti, and G.P.Johari PP 6957-6965 TE The coil-globule transition for a polymer chain confined in a tube: A Monte Carlo simulation AU P.Sotta, A.Lesne, and J.M.Victor PP 6966-6973 TE An extended Maxwell-Wagner theory for the electric birefringence of charged colloids AU D.A.Saville, T.Bellini, V.Degiorgio, and F.Mantegazza PP 6974-6983 TE Electrokinetic properties of colloids of variable charge. III. Observation of a Maxwell-Wagner relaxation mechanism by high-frequency electric-birefringence spectroscopy AU F.Mantegazza, T.Bellini, M.Buscaglia, V.Degiorgio, and D.A.Saville PP 6984-6991 TE Dynamical Monte Carlo study of equilibrium polymers. II. The role of rings AU J.P.Wittmer, P.van der Schoot, A.Milchev, and J.L.Barrat PP 6992-7005 TE Phase behavior of polymer containing colloidal dispersions: The integral equation theory AU Nadezhda P.Shusharina, Pavel G.Khalatur, and Alexei R.Khokhlov PP 7006-7012 TE A density-functional approach to nucleation in micellar solutions AU V.Talanquer and D.W.Oxtoby PP 7013-7021