The Journal of Chemical Physics, 2001, V 114, N 2, 8 January.
TE Adiabatic positron affinity of LiH
AU Krzysztof Strasburger
PP 615-616
TE The structure of the OCS-H_{2} van der Waals complex
Embedded inside ^{4}He/^{3}He droplets
AU Slava Grebenev, Boris G.Sartakov, J.Peter Toennies,
and Andrej F.Vilesov
PP 617-620
ARTICLES
TE A new Fourier path integral method, a more general
scheme for extrapolation, and comparison of eight path integral methods for
the quantum mechanical calculation of free energies
AU Steven L.Mielke and Donald G.Truhlar
PP 621-630
TE Thomas-Fermi-Dirac-von Weizsaecker models in finite systems
AU Garnet Kin-Lic Chan, Aron J.Cohen, and Nicholas C.Handy
PP 631-638
TE Orbital energy analysis with respect to LDA and self-interaction
corrected exchange-only potentials
AU Jorge Garza, Rubicelia Vargas, Jeffrey A.Nichols,
and David A.Dixon
PP 639-651
TE Shape corrections to exchange-correlation potentials by
gradient-regulated seamless connection of model potentials for
inner and outer region
AU M.Gruening, O.V.Gritsenko, S.J.A.van Gisbergen, and E.J.Baerends
PP 652-660
TE Low-order scaling local electron correlation methods. IV. Linear
scaling local coupled-cluster (LCCSD)
AU Martin Schuetz and Hans-Joachim Werner
PP 661-681
TE Nuclear Fukui function from coupled perturbed Hartree-Fock
equations
AU Robert Balawender and Paul Geerlings
PP 682-691
TE Toward the limits of predictive electronic structure theory:
Connected quadruple excitations for large basis set calculations
AU Stanislaw A.Kucharski, Maciej Kolaski, and Rodney J.Bartlett
PP 692-700
TE Investigations of amplitude and phase excitation profiles in
femtosecond coherence spectroscopy
AU Anand T.N.Kumar, Florin Rosca, Allan Widom, and Paul M.Champion
PP 701-724
TE Orbital angular momentum (Renner-Teller) effects in the
^{2}Pi_{i} ground state of silicon methylidyne (SiCH)
AU Tony C.Smith, Haiyang Li, David A.Hostutler, Dennis J.Clouthier,
and Anthony J.Merer
PP 725-734
TE Vibrational effects on electric properties of cyclopropenone and
cyclopropenethione
AU Udo Eckart, Victoria E.Ingamells, Manthos G.Papadopoulos,
and Andrzej J.Sadlej
PP 735-745
TE Geometry optimization of excited valence states of formaldehyde
using analytical multireference configuration interaction
singles and doubles and multireference averaged quadratic
coupled-cluster gradients, and the conical intersection formed
by the 1 ^{1}B_{1}(sigma-pi^{*}) and 2 ^{1}A_{1}(pi-pi^{*}) states
AU Michal Dallos, Thomas Mueller, Hans Lischka, and Ron Shepard
PP 746-757
TE The origin of the electron distribution in SnO
AU Graeme W.Watson
PP 758-763
TE Intermolecular potential energy surfaces and spectra of Ne-HCN
complex from ab initio calculations
AU Garold Murdachaew, Alston J.Misquitta, Robert Bukowski,
and Krzysztof Szalewicz
PP 764-779
TE Path integral Monte Carlo study on the structure and absorption
spectra of alkali atoms (Li, Na, K) attached to superfluid
helium clusters
AU Akira Nakayama and Koichi Yamashita
PP 780-791
TE Detection of O(^{1}D) produced in the photodissociation of
O_{2}. II. Identification of the ^{3}Sigma_{u}^{-} and
^{3}Pi_{u} Rydberg states in 105-113 nm
AU P.C.Lee and J.B.Nee
PP 792-797
TE Formation, structure and bond dissociation thresholds of
gas-phase vanadium oxide cluster ions
AU R.C.Bell, K.A.Zemski, D.R.Justes, and A.W.Castleman, Jr.
PP 798-811
TE Studies on carbon/sulfur cluster anions produced by laser
vaporization: Experiment (collision-induced dissociation) and
theory (ab initio calculation). II C_{4}S_{m}^{-} (4 < m < 10)
AU Hong Chen, Rong-bin Huang, Zhao-xiong Xie, Li-hua Chen,
and Lan-sun Zheng
PP 812-818
TE Bonding in Nb_{3}O, Nb_{3}S and Nb_{3}Se: A topological analysis
of the electrostatic potential
AU Ana Martinez, Patrizia Calaminici, Andreas M.Koester,
and Dennis R.Salahub
PP 819-825
TE Rotational and vibrational wave packet motion during the
infrared multiphoton excitation of HF
AU Stephen Herve, Frederic Le Quere, and Roberto Marquardt
PP 826-835
TE A theoretical study of HArF, a newly observed neutral argon
compound
AU Nino Runeberg, Mika Pettersson, Leonid Khriachtchev,
Jan Lundell, and Markku Raesaenen
PP 836-841
TE Electronic excitation spectrum of thiophene studied by
symmetry-adapted cluster configuration interaction method
AU Jian Wan, Masahiko Hada, Masahiro Ehara, and Hiroshi Nakatsuji
PP 842-850
TE Theoretical study of the He-HCN, Ne-HCN, Ar-HCN, and Kr-HCN
complexes
AU Rafal R.Toczylowski, Fred Doloresco, and Slawomir M.Cybulski
PP 851-864
TE Spectral assignment of dual conformers of
1,2,3,6,7,8-hexahydropyrene in the supersonic jet
AU Abhijit Chakraborty, Debnarayan Nath, Mintu Halder,
Nikhil Guchhait, and Mihir Chowdhury
PP 865-875
TE Calculation of refractive indices and third-harmonic generation
susceptibilities of liquid benzene and water: Comparison of
continuum and discrete local-field theories
AU H.Reis, M.G.Papadopoulos, and D.N.Theodorou
PP 876-881
TE Investigation of orbital momentum profiles of methylpropane
(isobutane) by binary (e,2e) spectroscopy
AU J.K.Deng, G.Q.Li, Y.He, J.D.Huang, H.Deng, X.D.Wang, F.Wang,
Y.A.Zhang, C.G.Ning, N.F.Gao, Y.Wang, X.J.Chen, and Y.Zheng
PP 882-888
TE Solvation free energies of polar molecular solutes: Application
of the two-sphere Born radius in continuum models of solvation
AU C.Satheesan Babu and Carmay Lim
PP 889-898
TE Transport in the static diffusion cloud chamber revisited
AU M.P.Anisimov, S.D.Shandakov, Yu.I.Polygalov, and R.H.Heist
PP 899-906
TE Application of a new reverse Monte Carlo algorithm to polyatomic
molecular systems. I. Liquid water
AU Fernando Luis B.da Silva, Wilmer Olivares-Rivas, Leo Degreve,
and Torbjoern Akesson
PP 907-914
TE Impact of short-range repulsive interactions between nuclei on
the evolution of a phase transformation
AU W.S.Tong, J.M.Rickman, and K.Barmak
PP 915-922
TE Substrate and chain length dependencies of the thermal behavior
of [CF_{3}(CF_{2})_{m}(CH_{2})_{n}COO]_{2}Cd single monolayers
investigated by infrared reflection absorption spectroscopy
AU Yanzhi Ren, Morito Asanuma, Ken-ichi Iimura, and Teiji Kato
PP 923-930
TE Near constant loss in glassy and crystalline LiAlSi_{2}O_{6}
from conductivity relaxation measurements
AU Apostolos K.Rizos, J.Alifragis, K.L.Ngai, and Paul Heitjans
PP 931-934
TE An experimental and theoretical investigation of the
thiophene/aluminum interface
AU R.I.R.Blyth, F.Mittendorfer, J.Hafner, S.A.Sardar, R.Duschek,
F.P.Netzer, and M.G.Ramsey
PP 935-942
TE Structural and electronic properties of CdS and CdSe clusters
AU M.Claudia Troparevsky and James R.Chelikowsky
PP 943-949
TE Melting/freezing behavior of a fluid confined in porous glasses
and MCM-41: Dielectric spectroscopy and molecular simulation
AU Malgorzata Sliwinska-Bartkowiak, Grazyna Dudziak,
Roman Sikorski, Roman Gras, Ravi Radhakrishnan,
and Keith E.Gubbins
PP 950-962
TE Origin of the D line in the Raman spectrum of graphite: A study
based on Raman frequencies and intensities of polycyclic
aromatic hydrocarbon molecules
AU C.Castiglioni, C.Mapelli, F.Negri, and G.Zerbi
PP 963-974
TE Long time self-diffusion in suspensions of highly charged
colloids: A comparison between pulsed field gradient NMR and Brownian dynamics
AU Joachim Wagner, Wolfram Haertl, and Harald Walderhaug
PP 975-983
TE Undulation, dilation, and folding of a layered block copolymer
AU Yachin Cohen, Martin Brinkmann, and Edwin L.Thomas
PP 984-992
TE Energy landscapes of conformationally constrained peptides
AU Yaakov Levy and Oren M.Becker
PP 993-1009
TE Long chain-length behaviors of optical nonlinearities of
substituted polyenic chains with charged topological defects
AU Z.An and K.Y.Wong
PP 1010-1019
TE A structure-based coarse-grained model for polymer melts
AU Reinier L.C.Akkermans and W.J.Briels
PP 1020-1031
TE Model for the aggregation state of living anionic polymers
AU Amalie L.Frischknecht and Scott T.Milner
PP 1032-1050
LETTERS TO THE EDITOR
TE Comment on "Surface diffusion potential energy surfaces from
first principles: CO chemisorbed on Pt" [J. Chem. Phys., v.111, 9461 (1999)]
AU A.P.Graham and J.P.Toennies
PP 1051-1052
TE Response to "Comment on `Surface diffusion potential energy
surfaces from first principles"' [J. Chem. Phys. 114, 1051 (2001)]
AU Q.Ge and D.A.King
PP 1053-1054