The Journal of Chemical Physics, 2002, V 116, N 15, 15 April.

TE Direct calculation of cumulative reaction probabilities from
Chebyshev correlation functions
AU Daiqian Xie, Shenmin Li, and Hua Guo
PP 6391-6396

TE Explicitly correlated second-order Moller-Plesset methods with
auxiliary basis sets
AU Wim Klopper and Claire C.M.Samson
PP 6397-6410

TE Intermolecular interaction energies from the total energy
bifunctional: A case study of carbazole complexes
AU T.A.Wesolowski, P.-Y.Morgantini, and J.Weber
PP 6411-6421

TE Anomalous dielectric relaxation in the context of the Debye
model of noninertial rotational diffusion
AU W.T.Coffey, Yu.P.Kalmykov, and S.V.Titov
PP 6422-6426

TE On the resolution of the optical rotatory power of chiral
molecules into atomic terms. A study of hydrogen peroxide
AU A.Ligabue, P.Lazzeretti, M.P.Beccar Varela, and M.B.Ferraro
PP 6427-6434

TE Exchange potential from the common energy denominator
approximation for the Kohn-Sham Green's function: Application to
(hyper)polarizabilities of molecular chains
AU M.Gruening, O.V.Gritsenko, and E.J.Baerends
PP 6435-6442

TE A chemical Hamiltonian approach study of the basis set
superposition error changes on electron densities and one- and
two-center energy components
AU Pedro Salvador, Miquel Duran, and Xavier Fradera
PP 6443-6457

TE A new correlation functional based on analysis of the
Colle-Salvetti functional
AU Yutaka Imamura, Gustavo E.Scuseria, and Richard M.Martin
PP 6458-6467

TE Time-dependent density functional theory employing optimized
effective potentials
AU So Hirata, Stanislav Ivanov, Ireneusz Grabowski, and Rodney J.Bartlett
PP 6468-6481

TE Molecular equilibrium structures from experimental rotational
constants and calculated vibration-rotation interaction constants
AU Filip Pawlowski, Poul Jorgensen, Jeppe Olsen, Flemming Hegelund,
Trygve Helgaker, Juergen Gauss, Keld L.Bak, and John F.Stanton
PP 6482-6496

TE Stereodynamics and rovibrational effect for
H+CH_{4}(v,j,K,n)-->H_{2}+CH_{3} reaction
AU Mingliang Wang and J.Z.H.Zhang
PP 6497-6504

TE High-resolution infrared spectra of jet-cooled allyl radical
(CH_{2}-CH-CH_{2}): nu_{2}, nu_{3}, and nu_{14} C-H stretch vibrations
AU Jia-xiang Han, Yu.G.Utkin, Hong-bing Chen, Neil T.Hunt, and R.F.Curl
PP 6505-6512

TE The SiP molecule: The first observation and spectroscopic characterization
AU Zygmunt J.Jakubek, S.G.Nakhate, and Benoit Simard
PP 6513-6520

TE Anion photoelectron spectroscopy of V_{n}O_{m}^{-} (n=4-15;m=0-2)
AU Axel Pramann, Kiichirou Koyasu, Atsushi Nakajima, and Koji Kaya
PP 6521-6528

TE An accurate description of the ground and excited states of SiH
AU Apostolos Kalemos, Aristides Mavridis, and
Aristophanes Metropoulos
PP 6529-6540

TE Strong coupling of the single excitations in the Q-like bands of
phenylene-linked free-base and zinc bacteriochlorin dimers: A
time-dependent density functional theory study
AU Yoichi Yamaguchi, Shiyoshi Yokoyama, and Shinro Mashiko
PP 6541-6548

TE Ab initio study of the isomerization of retinal chromophore and
its derivatives
AU Han Myoung Lee, Jongseob Kim, Cheol-Ju Kim, and Kwang S.Kim
PP 6549-6559

TE Collision-induced dissociation and photodetachment of singly and
doubly charged anionic polynuclear transition metal carbonyl
clusters: Ru_{3}Co(CO)_{13}^{-}, Ru_{6}C(CO)_{16}^{2-}, and
AU Colin P.G.Butcher, Brian F.G.Johnson, J.Scott McIndoe, Xin Yang,
Xue-Bin Wang, and Lai-Sheng Wang
PP 6560-6566

TE Revival structures in picosecond laser-induced alignment of
I_{2} molecules. I. Experimental results
AU F.Rosca-Pruna and M.J.J.Vrakking
PP 6567-6578

TE Revival structures in picosecond laser-induced alignment of
I_{2} molecules. II. Numerical modeling
AU F.Rosca-Pruna and M.J.J.Vrakking
PP 6579-6588

TE Zero electron kinetic energy photoelectron spectroscopy and
density functional calculations of Al-P(CH_{3})_{3} and Al-As(CH_{3})_{3}
AU Shenggang Li, Gretchen K.Rothschopf, and Dong-Sheng Yang
PP 6589-6594

TE A full-dimensional quantum approach to the vibrational
predissociation of tetra-atomic complexes based on the
partially-separable time-dependent self-consistent-field approximation
AU A.Garcia-Vela
PP 6595-6604

TE Collision-induced alignment of NO^{+} drifting in argon:
Calculated distribution functions and microscopic quadrupole
alignment parameters
AU Xin Chen, R.Araghi, R.Baranowski, and M.Thachuk
PP 6605-6613

TE Correlated electron-pair properties of the Be atom in position
and momentum spaces
AU Toshikatsu Koga
PP 6614-6617

TE Molecular hydrogen 3s,d ^{3}Lambda_{g}^{+} complex revisited
AU E.A.Pazyuk, V.I.Pupyshev, A.V.Stolyarov, and T.Kiyoshima
PP 6618-6627

TE Ab initio studies of (H_{2}O)_{28} hexakaidecahedral cluster
with Ne, N_{2}, CH_{4}, and C_{2}H_{6} guest molecules in the cavity
AU Arshad Khan
PP 6628-6633

TE State-resolved differential and integral cross sections for the
reaction H+D_{2}-->HD(v'=3,j'=0-7)+D at 1.64 eV collision energy
AU Brian D.Bean, James D.Ayers, Felix Fernandez-Alonso, and Richard N.Zare
PP 6634-6639

TE High resolution pulsed infrared cavity ringdown spectroscopy:
Application to laser ablated carbon clusters
AU Raphael Casaes, Robert Provencal, Joshua Paul, and Richard J.Saykally
PP 6640-6647

TE Spectroscopic determination of the two-dimensional vibrational
potential energy surfaces for the ring-puckering and ring-flapping modes of 
indan in its S_{0} and S_{1}(pi,pi^{*}) electronic states
AU Zane Arp, Niklas Meinander, Jaebum Choo, and Jaan Laane
PP 6648-6655

TE Ab initio study of lutetium dimer
AU C.L.Yang, Z.H.Zhang, and T.Q.Ren
PP 6656-6659

TE Electric quadrupole transitions of Rb_{2} observed in a pulsed
molecular beam: The 1 ^{1}Delta_{g}-X ^{1}Sigma_{g}^{+} bands near 540 nm
AU Youngjee Yoon, Yonghoon Lee, Sungyul Lee, and Bongsoo Kim
PP 6660-6666

TE Reduced dimensionality quantum calculations of
acetylenevinylidene isomerization
AU Shengli Zou and Joel M.Bowman
PP 6667-6673

TE Radiative singlet-triplet transition properties from
coupled-cluster response theory: The importance of the S_{0}-->T_{1} transition 
for the photodissociation of water at 193 nm
AU Ove Christiansen and Juergen Gauss
PP 6674-6686

TE Rotational dynamics of nondipolar probes in electrolyte
solutions: Can specific interactions be modeled as dielectric friction?
AU G.B.Dutt and T.K.Ghanty
PP 6687-6693

TE Role of the Barker-Henderson diameter in thermodynamics
AU Yiping Tang
PP 6694-6700

TE The electronic influence of a third body on resonance energy transfer
AU Gareth J.Daniels and David L.Andrews
PP 6701-6712

TE Four-center energy transfer and interaction pairs: Molecular
quantum electrodynamics
AU Robert D.Jenkins and David L.Andrews
PP 6713-6724

TE A study of water-water interactions in hydrophobic association
by a molecular dynamics simulation with an optimized umbrella sampling method
AU Naoki Tsunekawa, Hiroh Miyagawa, Kunihiro Kitamura, and Yasuaki Hiwatari
PP 6725-6730

TE Dielectric relaxation of chained ferrofluids
AU Vladimir V.Murashov, Philip J.Camp, and G.N.Patey
PP 6731-6737

TE Thin-film nucleation through molecular cluster beam deposition:
Comparison of tight-binding and many-body empirical potential
molecular dynamics simulations
AU Yanhong Hu, Sanguo Shen, Lei Liu, Chakram S.Jayanthi, Shi-Yu Wu,
and Susan B.Sinnott
PP 6738-6744

TE Second-harmonic generation from chemically modified Ge(111) interfaces
AU Vasiliy Fomenko, Dora Bodlaki, Catherine Faler, and Eric Borguet
PP 6745-6754

TE Shape effects in plasmon resonance of individual colloidal
silver nanoparticles
AU J.J.Mock, M.Barbic, D.R.Smith, D.A.Schultz, and S.Schultz
PP 6755-6759

TE Effect of atomic disorder or chain length on the stability of
photoinduced polarization inversion
AU Lu-xia Wang, De-sheng Liu, Jian-hua Wei, Shi-jie Xie,
Sheng-hao Han, and Liang-mo Mei
PP 6760-6763

TE Probing surface properties with hyperthermal polyatomic ions:
Scattering of C_{60}^{+} from highly oriented pyrolitic
graphite, Au (111), and n-alkylthiol self-assembled monolayers
AU Matthias Hillenkamp, Stefan-Sven Jester, and Manfred M.Kappes
PP 6764-6771

TE Blue cooperative luminescence in Yb^{3+}-doped tellurite glasses
excited at 1.064 xm
AU P.V.dos Santos, M.V.D.Vermelho, E.A.Gouveia, Araujo,
A.S.Gouveia-Neto, F.C.Cassanjes, S.J.L.Ribeiro, and Y.Messaddeq
PP 6772-6776

TE Tunable Fermi resonance in a C_{2}F_{6} monolayer on graphite
AU G.B.Hess
PP 6777-6781

TE pi-electronic and electrical transport properties of conjugated
polymer nanocomposites: Poly(p-phenylenevinylene) with
homogeneously dispersed silica nanoparticles
AU Peter K.H.Ho and Richard H.Friend
PP 6782-6794

TE Molecular dynamics simulation of microstructure and counterion
transport in dry ionic heteropolymers
AU Chee Wong and Julian H.R.Clarke
PP 6795-6802

TE Infrared analogs of heteronuclear nuclear magnetic resonance
coherence transfer experiments in peptides
AU C.Scheurer and S.Mukamel
PP 6803-6816

TE Pivot-coupled grand canonical Monte Carlo method for ring simulations
AU James T.Kindt
PP 6817-6825

TE Adhesion and liquid-liquid phase separation in globular protein solutions
AU F.N.Braun
PP 6826-6830

TE Prediction of helical peptide folding in an implicit water by a
new molecular dynamics scheme with generalized effective potential
AU Youngshang Pak, Soonmin Jang, and Seokmin Shin
PP 6831-6835

TE A Monte Carlo study of solutions of oppositely charged polyelectrolytes
AU Yoshikatsu Hayashi, Magnus Ullner, and Per Linse
PP 6836-6845

TE Intermediate neglect of differential overlap excited state
calculations in periodic boundary conditions: The absorption spectrum of poly
AU Jason D.Weibel and David Yaron
PP 6846-6856


TE Erratum: "Direct ab initio dynamics studies of N+H_{2}NH+H reaction" [J. Chem. Phys., v.113, 6149 (2000)] AU Shaowen Zhang and Thanh N.Truong PP 6857