The Journal of Chemical Physics, 2001, V 114, N 15, April 15.
TE Gas phase ligand field photofragmentation spectroscopy
AU Ljiljana Puskar and Anthony J.Stace
PP 6499-6501
TE Crystal lattice transition of behenic acid monolayer
on pure water surface observed by polarization modulation
infrared spectroscopy
AU Yanzhi Ren, Ken-ichi Iimura, and Teiji Kato
PP 6502-6504
ARTICLES
TE A transversing connection between density functionals
AU Takao Tsuneda, Muneaki Kamiya, Naoki Morinaga, and Kimihiko Hirao
PP 6505-6513
TE On the determination of orientational configurational
temperature from computer simulation
AU A.A.Chialvo, J.M.Simonson, P.T.Cummings, and P.G.Kusalik
PP 6514-6517
TE On the concept of temperature for a small isolated system
AU J.U.Andersen, E.Bonderup, and K.Hansen
PP 6518-6525
TE A new computational scheme for the Dirac-Hartree-Fock method
employing an efficient integral algorithm
AU Takeshi Yanai, Takahito Nakajima, Yasuyuki Ishikawa, and Kimihiko Hirao
PP 6526-6538
TE Atom-atom partitioning of intramolecular and intermolecular
Coulomb energy
AU P.L.A.Popelier and D.S.Kosov
PP 6539-6547
TE The accurate determination of molecular equilibrium structures
AU Keld L.Bak, Juergen Gauss, Poul Jorgensen, Jeppe Olsen,
Trygve Helgaker, and John F.Stanton
PP 6548-6556
TE An assumption-violating application of the Lawrance-Knight
deconvolution procedure: A retrieval of electronic coupling
mechanisms underlying complex spectra
AU Selen Altunata and Robert W.Field
PP 6557-6561
TE Phase space optimization of quantum representations: Three-body
systems and the bound states of HCO
AU Bill Poirier and J.C.Light
PP 6562-6571
TE Efficient evaluation of the Coulomb force in density-functional
theory calculations
AU Yihan Shao, Christopher A.White, and Martin Head-Gordon
PP 6572-6577
TE Multigrid methods for classical molecular dynamics simulations
of biomolecules
AU Celeste Sagui and Thomas Darden
PP 6578-6591
TE A harmonic adiabatic approximation to calculate highly excited
vibrational levels of "floppy molecules"
AU David Lauvergnat, Andre Nauts, Yves Justum, and Xavier Chapuisat
PP 6592-6604
TE Vector correlations in dissociative photoionization of O_{2} in
the 20-28 eV range. I. Electron-ion kinetic energy correlations
AU A.Lafosse, J.C.Brenot, A.V.Golovin, P.M.Guyon, K.Hoejrup,
J.C.Houver, M.Lebech, and D.Dowek
PP 6605-6617
TE Multiphoton ionization and photoelectron spectroscopy of
1,3-trans-butadiene via its 3dpi Rydberg state
AU Jianbo Liu and Scott L.Anderson
PP 6618-6624
TE State-specific reactions HBr^{+}(^{2}Pi_{i},v^{+})+(H_{2},
HBr)-->H_{2}Br^{+} at low collisional energies
AU Andrey E.Belikov, Christopher Mullen, and Mark A.Smith
PP 6625-6630
TE Resonance Raman spectroscopy in the dissociative A band of
nitrosyl chloride
AU Jeffrey L.Mackey, Bruce R.Johnson, Carter Kittrell, Linh D.Le,
and James L.Kinsey
PP 6631-6640
TE Quantum dressed classical mechanics
AU G.D.Billing
PP 6641-6653
TE Rotational-state and velocity-subgroup dependence of the
rotational alignment of N_{2}^{+} drifted in He
AU Eric B.Anthony, Veronica M.Bierbaum, and Stephen R.Leone
PP 6654-6661
TE Molecular dynamics study of the collision-induced rotational
alignment of N_{2}^{+} drifting in helium
AU R.Baranowski, B.Wagner, and M.Thachuk
PP 6662-6671
TE Low-energy electron scattering by C_{2}HF_{5}
AU M.H.F.Bettega, C.Winstead, and V.McKoy
PP 6672-6678
TE Dissociative recombination and excitation of O_{2}^{+}: Cross
sections, product yields and implications for studies of ionospheric airglows
AU Robert Peverall, Stefan Rosen, James R.Peterson, Mats Larsson,
Ahmed Al-Khalili, Ljiljana Vikor, Jacek Semaniak,
Rolf Bobbenkamp, Arnaud Le Padellec, A.N.Maurellis, and Wim J.van der Zande
PP 6679-6689
TE The dynamics of the reactions H+H_{2}O-->OH+H_{2} and
H+D_{2}O-->OD+HD at 1.4 eV
AU M.Brouard, I.Burak, D.M.Joseph, G.A.J.Markillie, D.Minayev,
P.O'Keeffe, and C.Vallance
PP 6690-6701
TE Rotational dynamics of coumarins: An experimental test of
dielectric friction theories
AU G.B.Dutt and Sumathi Raman
PP 6702-6713
TE Collective dynamics at high wave vector in the glass-forming
liquid Ca_{0.4}K_{0.6}(NO_{3})_{1.4}
AU Mauro C.C.Ribeiro
PP 6714-6719
TE How to build a better pair potential for water
AU Bertrand Guillot and Yves Guissani
PP 6720-6733
TE Lattice dynamics and elasticity of silver thiogallate
(AgGaS_{2}) from ab initio calculations
AU J.Lazewski and K.Parlinski
PP 6734-6738
TE Intermolecular energy transfer after vibrational excitation of a
perylene dye in solution, in polymer binder, and in a side-chain
copolymer
AU Johannes Baier, Peter Poesch, Gert Jungmann,
Hans-Werner Schmidt, and Alois Seilmeier
PP 6739-6743
TE Modeling solvation of excited electronic states of flexible
polyatomic molecules: Diatomics-in-molecules for I_{3} in argon clusters
AU C.J.Margulis and D.F.Coker
PP 6744-6749
TE Transient absorption anisotropy study of ultrafast energy
transfer in porphyrin monomer, its direct meso-meso coupled dimer and trimer
AU Chang-Ki Min, Taiha Joo, Min-Chul Yoon, Cheon Min Kim,
Young Nam Hwang, Dongho Kim, Naoki Aratani, Naoya Yoshida,
and Atsuhiro Osuka
PP 6750-6758
TE Bubble nucleation in binary mixtures: A semiempirical approach
AU V.Talanquer, Crystal Cunningham, and D.W.Oxtoby
PP 6759-6762
TE Efficient ab initio sampling methods in rate constant
calculations for proton-transfer reactions
AU Radu Iftimie and Jeremy Schofield
PP 6763-6773
TE Time resolved optical Kerr effect analysis of urea-water system
AU A.Idrissi, P.Bartolini, M.Ricci, and R.Righini
PP 6774-6780
TE Vibrational mode-specific photochemical reaction dynamics of
chlorine dioxide in solution
AU Henk Fidder, Frank Tschirschwitz, Oliver Duehr,
and Erik T.J.Nibbering
PP 6781-6794
TE Investigations of ultrafast nuclear response induced by resonant
and nonresonant laser pulses
AU Anand T.N.Kumar, Florin Rosca, Allan Widom, and Paul M.Champion
PP 6795-6815
TE Two-state approximation for aggregate states of clusters
AU R.Stephen Berry and Boris M.Smirnov
PP 6816-6823
TE Coupled molecular dynamics/semiempirical simulation of organic
solutes in polar liquids. I. Naphthalene in acetonitrile
AU F.Cichos, R.Brown, and Ph.A.Bopp
PP 6824-6833
TE Coupled molecular dynamics/semiempirical simulation of organic
solutes in polar liquids. II. Coumarin 153 in methanol and acetonitrile
AU F.Cichos, R.Brown, and Ph.A.Bopp
PP 6834-6842
TE Spectral diffusion of individual pentacene, terrylene, and
dibenzanthanthrene molecules in n-tetradecane
AU Yannig Durand, Andreas Bloes, Juergen Koehler,
Edgar J.J.Groenen, and Jan Schmidt
PP 6843-6850
TE Resolution and polarization in apertureless near-field microscopy
AU Ross E.Larsen and H.Metiu
PP 6851-6860
TE Scattering of hyperthermal reactive and nonreactive ions from Pt(111)
AU Gero Herrmann, Michio Okada, and Yoshitada Murata
PP 6861-6868
TE Nonequilibrium molecular dynamics simulations of confined fluids
in contact with the bulk
AU Luzheng Zhang, Ramkumar Balasundaram, Stevin H.Gehrke,
and Shaoyi Jiang
PP 6869-6877
TE Nuclear magnetic resonance spin echoes for restricted diffusion
in an inhomogeneous field: Methods and asymptotic regimes
AU Scott Axelrod and Pabitra N.Sen
PP 6878-6895
TE Application of periodically modulated driving force to the
transition kinetics in vinylidene fluoride/trifluoroethylene copolymers
AU Akihiko Toda, Yoshiyuki Takahashi, Takeshi Arita,
Masamichi Hikosaka, and Takeo Furukawa
PP 6896-6905
TE Multiple-phase behavior and its microscopic implication for
4-acrylamidosalicylic acid gel
AU Masahiko Annaka, Mitsuhiro Shibayama, Fumiyoshi Ikkai,
Masaaki Sugiyama, Kazuhiro Hara, Takayuki Nakahira,
and Toyoichi Tanaka
PP 6906-6912
TE Interfacing continuum and molecular dynamics: An application to
lipid bilayers
AU Gary Ayton, Scott G.Bardenhagen, Patrick McMurtry,
Deborah Sulsky, and Gregory A.Voth
PP 6913-6924
TE Hybrid approach for including electronic and nuclear quantum
effects in molecular dynamics simulations of hydrogen transfer
reactions in enzymes
AU Salomon R.Billeter, Simon P.Webb, Tzvetelin Iordanov,
Pratul K.Agarwal, and Sharon Hammes-Schiffer
PP 6925-6936
TE Brownian dynamics simulations of flexible polymers with
spring-spring repulsions
AU Satish Kumar and Ronald G.Larson
PP 6937-6941
TE Intra-molecular phase segregation in a single polyelectrolyte chain
AU S.Takagi, K.Tsumoto, and K.Yoshikawa
PP 6942-6949
TE Calculation of excitonic properties of conjugated polymers using
the Bethe-Salpeter equation
AU J.-W.van der Horst, P.A.Bobbert, M.A.J.Michels, and H.Baessler
PP 6950-6957
LETTERS TO THE EDITOR
TE The dilution wave in polymer crystallization is described by
Fisher's reaction-diffusion equation
AU Paul G.Higgs and Goran Ungar
PP 6958-6959
TE Erratum: "Histogram filtering-a technique to optimize wave
functions for use in Monte Carlo simulations" [J. Chem. Phys.,
v.111, 9971 (1999)]
AU Martin Snajdr, Jason R.Dwyer, and Stuart M.Rothstein
PP 6960