The Journal of Chemical Physics, 2001, V 114, N 22, 8 June.
TE On the crossing of electronic energy levels of diatomic
molecules at the large-D limit
AU Qicun Shi, Sabre Kais, Francoise Remacle, and R.D.Levine
PP 9697-9705
TE Explicit-solvent molecular dynamics simulation at constant pH:
Methodology and application to small amines
AU Ulf Boerjesson and Philippe H.Huenenberger
PP 9706-9719
TE Trial wave functions for the calculation of vibrational states
of molecules using quantum Monte Carlo
AU Washington B.da Silva and Paulo H.Acioli
PP 9720-9724
TE Torsional diffusion Monte Carlo: A method for quantum
simulations of proteins
AU David C.Clary
PP 9725-9732
TE Why the anisotropic planar rotor model is nearly second order
AU Scott T.Milner and Amalie L.Frischknecht
PP 9733-9740
TE A mixed quantum classical rate theory for the collinear H+H_{2} reaction
AU Yujun Zheng and Eli Pollak
PP 9741-9746
TE An efficient method for the coordinate transformation problem of
massively three-dimensional networks
AU Karoly Nemeth, Olivier Coulaud, Gerald Monard, and Janos G.Angyan
PP 9747-9753
TE Relations between parameters of density functional theories
through exactly solvable many-fermion models
AU A.R.P.Rau and Juergen Hinze
PP 9754-9757
TE Ab initio molecular dynamics: Propagating the density matrix
with Gaussian orbitals
AU H.Bernhard Schlegel, John M.Millam, Srinivasan S.Iyengar,
Gregory A.Voth, Andrew D.Daniels, Gustavo E.Scuseria, and Michael J.Frisch
PP 9758-9763
TE A novel geometric embedding algorithm for efficiently generating
dense polymer structures
AU M.Mueller, J.Nievergelt, S.Santos, and U.W.Suter
PP 9764-9771
TE A novel parallel-rotation algorithm for atomistic Monte Carlo
simulation of dense polymer systems
AU S.Santos, U.W.Suter, M.Mueller, and J.Nievergelt
PP 9772-9779
TE Electronic structure and bonding in metal phthalocyanines,
Metal=Fe, Co, Ni, Cu, Zn, Mg
AU Meng-Sheng Liao and Steve Scheiner
PP 9780-9791
TE Geometry, electronic structure, and energetics of copper-doped
aluminum clusters
AU S.N.Khanna, C.Ashman, B.K.Rao, and P.Jena
PP 9792-9796
TE Multiphoton ionization and photoelectron spectroscopy of
formaldehyde via its 3p Rydberg states
AU Jianbo Liu, Ho-Tae Kim, and Scott L.Anderson
PP 9797-9806
TE Pressure effects on bimolecular recombination and unimolecular
dissociation reactions
AU R.A.Marcus and Yi Qin Gao
PP 9807-9812
TE Effects of pi centers and symmetry on two-photon absorption
cross sections of organic chromophores
AU Chuan-Kui Wang, Peter Macak, Yi Luo, and Hans Agren
PP 9813-9820
TE Branching ratios of C_{2} products in the photodissociation of
C_{2}H at 193 nm
AU A.M.Mebel, M.Hayashi, W.M.Jackson, Jacek Wrobel, Martina Green,
Dadong Xu, and S.H.Lin
PP 9821-9831
TE Study of the electronic structure of the actinide tetrabromides ThBr_{4} and
UBr_{4} using ultraviolet photoelectron spectroscopy and density functional
calculations
AU L.J.Beeching, J.M.Dyke, A.Morris, and J.S.Ogden
PP 9832-9839
TE High-resolution photoelectron spectroscopic study of the first
electronic states of Kr_{2}^{+}
AU R.Signorell, U.Hollenstein, and F.Merkt
PP 9840-9851
TE Two channel vapor nucleation in the vicinity of the triple point
AU Lyubov Anisimova, Philip K.Hopke, and Jason Terry
PP 9852-9855
TE Light-induced multiple electronic-state coupling of O_{2}^{+} in
intense laser fields
AU Akiyoshi Hishikawa, Shilin Liu, Atsushi Iwasaki,
and Kaoru Yamanouchi
PP 9856-9862
TE The equilibrium structure of the ammonium radical Rydberg ground state
AU Kurt W.Sattelmeyer, Henry F.Schaefer III, and John F.Stanton
PP 9863-9865
TE Dissociation kinetics of metal clusters on multiple electronic
states including electronic level statistics into the vibronic soup
AU Alexandre A.Shvartsburg and K.W.Michael Siu
PP 9866-9874
TE Formation and dissociation of triply charged fragment ions of benzene
AU F.Scheuermann, E.Salzborn, F.Hagelberg, and P.Scheier
PP 9875-9881
TE A four-dimensional quantum mechanical state-to-state study of
the H_{2}+C_{2}H-->H+C_{2}H_{2} reaction
AU Henrik Szichman, Miquel Gilibert, Miguel Gonzalez,
Xavier Gimenez, and Antonio Aguilar
PP 9882-9894
TE In search of theoretically predicted magic clusters:
Lithium-doped aluminum cluster anions
AU O.C.Thomas, W.-J.Zheng, T.P.Lippa, S.-J.Xu, S.A.Lyapustina,
and K.H.Bowen, Jr.
PP 9895-9900
TE Molecular quantum dynamics in a thermal system: Fractional wave
packet revivals probed by random-phase fluorescence interferometry
AU Ch.Warmuth, A.Tortschanoff, F.Milota, M.Leibscher, M.Shapiro,
Y.Prior, I.Sh.Averbukh, W.Schleich, W.Jakubetz, and H.F.Kauffmann
PP 9901-9910
TE Quenching of excited ^{1}P_{1} state atomic zinc by molecular
nitrogen: A matrix-isolation spectroscopy/quantum chemical
calculation study
AU Fernando Colmenares, John G.McCaffrey, and Octavio Novaro
PP 9911-9918
TE Collision and transport properties of Rg+Cl(^{2}P) and
Rg+Cl^{-}(^{1}S) (Rg=Ar, Kr) from ab initio potentials
AU A.A.Buchachenko, R.V.Krems, M.M.Szczesniak, Yun-De Xiao,
Larry A.Viehland, and Grzegorz Chalasinski
PP 9919-9928
TE Ab initio zero electron kinetic energy spectroscopy of the
ArCl^{-} and KrCl^{-} anions
AU A.A.Buchachenko, M.M.Szczesniak, and Grzegorz Chalasinski
PP 9929-9937
TE Hyper-Rayleigh scattering from CH_{4}, CD_{4}, CF_{4}, and CCl_{4}
AU Robby D.Pyatt and David P.Shelton
PP 9938-9946
TE Lateral instabilities in cubic autocatalytic reaction fronts:
The effect of autocatalyst decay
AU Agota Toth, Dezsoe Horvath, Eva Jakab, John H.Merkin, and Stephen K.Scott
PP 9947-9952
TE Inclusion of quantum-mechanical vibrational energy in reactive
potentials of mean force
AU Mireia Garcia-Viloca, Cristobal Alhambra, Donald G.Truhlar, and Jiali Gao
PP 9953-9958
TE Nonadiabatic instanton calculation of multistate electron transfer reaction
rate: Interference effects in three and four states systems
AU Seogjoo Jang and Jianshu Cao
PP 9959-9968
TE Matrix effects on the mobility of oxygen atoms in different states
AU Xi-Jing Ning and Qi-Zong Qin
PP 9969-9974
TE Molecular dynamics studies of supercooled ethanol
AU G.Sese and R.Palomar
PP 9975-9981
TE Two-dimensional vibrational spectroscopy. VIII. Infrared optical
Kerr effect and two-color infrared pump-probe measurements
AU Minhaeng Cho
PP 9982-9992
TE Luminescence lifetimes of single molecules in disordered media
AU Elizabeth A.Donley and Taras Plakhotnik
PP 9993-9997
TE Molten salt electrolytes. I. Experimental and theoretical
studies of LiI/AlCl_{3}
AU Yi-Chia Lee, Jiri Kolafa, Larry A.Curtiss, Mark A.Ratner,
and Duward F.Shriver
PP 9998-10009
TE Low frequency scattering excess in supercooled confined water
AU F.Venturini, P.Gallo, M.A.Ricci, A.R.Bizzarri, and S.Cannistraro
PP 10010-10014
TE Single molecule spectroscopy of disordered circular aggregates:
A perturbation analysis
AU Sara E.Dempster, Seogjoo Jang, and Robert J.Silbey
PP 10015-10023
TE High-resolution electron spin resonance spectroscopy of ethyl
radicals in solid parahydrogen
AU Takayuki Kumada, Jun Kumagai, and Tetsuo Miyazaki
PP 10024-10030
TE Homogeneous nucleation of n-pentanol in a laminar flow diffusion chamber
AU Heikki Lihavainen, Yrjoe Viisanen, and Markku Kulmala
PP 10031-10038
TE Proton transport in polarizable water
AU S.Walbran and A.A.Kornyshev
PP 10039-10048
TE Isotropic tensile strength of molecular glasses
AU Marcel Utz, Pablo G.Debenedetti, and Frank H.Stillinger
PP 10049-10057
TE The oxidation of CO on RuO_{2}(110) at room temperature
AU C.Y.Fan, J.Wang, K.Jacobi, and G.Ertl
PP 10058-10062
TE Structure and stability of the clathrates Ba_{8}Ga_{16}Ge_{30},
Sr_{8}Ga_{16}Ge_{30}, Ba_{8}Ga_{16}Si_{30}, and Ba_{8}In_{16}Sn_{30}
AU Nick P.Blake, Dan Bryan, Susan Latturner, Lone Mollnitz, Galen D.Stucky
and Horia Metiu
PP 10063-10074
TE Interactions of adsorbates with locally strained substrate lattices
AU P.Jakob, M.Gsell, and D.Menzel
PP 10075-10085
TE Systematics of elasticity: Ab initio study in B1-type alkaline
earth oxides
AU T.Tsuchiya and K.Kawamura
PP 10086-10093
TE Measurement of surface charge densities on Brownian particles
using total internal reflection microscopy
AU H.H.von Gruenberg, L.Helden, P.Leiderer, and C.Bechinger
PP 10094-10104
TE The effect of the charge density of microemulsion droplets on
the bending elasticity of their amphiphilic film
AU B.Farago and M.Gradzielski
PP 10105-10122
TE Adsorption of acenes on flat and vicinal Cu(111) surfaces: Step
induced formation of lateral order
AU S.Lukas, S.Vollmer, G.Witte, and Ch.Woell
PP 10123-10130
TE Gas-liquid phase separation in charged colloidal systems
AU Jurij Rescic and Per Linse
PP 10131-10136
TE Computational study of molecular hydrogen in zeolite Na-A. II.
Density of rotational states and inelastic neutron scattering spectra
AU Jennifer A.MacKinnon, Juergen Eckert, David F.Coker,
and Amy L.R.Bug
PP 10137-10150
TE Shear-induced displacement of isotropic-nematic spinodals
AU T.A.J.Lenstra, Z.Dogic, and J.K.G.Dhont
PP 10151-10162
TE Computer simulation of adsorption of a Stockmayer molecule
chlorodifluoromethane in activated carbon slit pores
AU Wenzheng Jin and Wenchuan Wang
PP 10163-10169
TE Reactions of methylamines at the Si(100)-2x1 surface
AU Collin Mui, George T.Wang, Stacey F.Bent, and Charles B.Musgrave
PP 10170-10180
TE Integral equation theory approach to rodlike polyelectrolytes:
Counterion condensation
AU T.Hofmann, R.G.Winkler, and P.Reineker
PP 10181-10188
TE Relaxation spectra in poly: Comparison of acoustic attenuation
and light scattering data
AU G.Caliskan, A.Kisliuk, V.N.Novikov, and A.P.Sokolov
PP 10189-10195
TE Effect of quench depth on grain structure in quiescently ordered
block copolymers
AU W.G.Kim, M.Y.Chang, B.A.Garetz, M.C.Newstein, N.P.Balsara,
J.H.Lee, H.Hahn, and S.S.Patel
PP 10196-10211
TE Utility function and cooperativity in binding systems
AU A.Ben-Naim
PP 10212-10224
LETTERS TO THE EDITOR
TE Production of positive ion pairs by electron-impact ionization of CH_{4}
AU B.G.Lindsay, R.Rejoub, and R.F.Stebbings
PP 10225-10226