The Journal of Chemical Physics, 2002, V 116, N 21, June 1.
COMMUNICATIONS
TE Energy transfer in rare gas collisions with hydroxyl- and
methyl-terminated self-assembled monolayers
AU Shelby F.Shuler, Gwen M.Davis, and John R.Morris
PP 9147-9150
TE The global minimum structure of SiC_{3}: The controversy
continues
AU Kurt W.Sattelmeyer, Henry F.Schaefer III, and John F.Stanton
PP 9151-9153
TE Conjectures on the glass transition of polymers in confined
geometries
AU John D.McCoy and John G.Curro
PP 9154-9157
ARTICLES
Theoretical Methods and Algorithms
TE Time distributions for classically unallowed processes of a
two-level system: Nonadiabatic tunneling and above-barrier reflection
AU Randall S.Dumont
PP 9158-9164
TE Nonlinear optical properties of tetrahedral donor-acceptor
octupolar molecules: Effective five-state model approach
AU Minhaeng Cho, Sun-Young An, Hochan Lee, Isabelle Ledoux,
and Joseph Zyss
PP 9165-9173
TE Numerical approaches for computing nonadiabatic electron
transfer rate constants
AU J.L.Liao and Gregory A.Voth
PP 9174-9187
TE First principles determination of the bound levels of
Li^{-}(H_{2})
AU Daniel T.Chang, G.Surratt, G.Ristroff, and Gregory I.Gellene
PP 9188-9195
TE Theory of open quantum systems
AU Ruixue Xu and YiJing Yan
PP 9196-9206
TE Coherent state semiclassical initial value representation for
the Boltzmann operator in thermal correlation functions
AU Nancy Makri and William H.Miller
PP 9207-9212
TE Relationships between Jaynes entropy of the one-particle density
matrix and Shannon entropy of the electron densities
AU Robin P.Sagar, Juan Carlos Ramirez, Rodolfo O.Esquivel,
Minhhuy Ho, and Vedene H.Smith, Jr.
PP 9213-9221
Gas Phase Dynamics and Structure: Spectroscopy,
Molecular Interactions, Scattering, and Photochemistry
TE F+D_{2} reaction at ultracold temperatures
AU E.Bodo, F.A.Gianturco, and A.Dalgarno
PP 9222-9227
TE Measurement of Cl and Br photofragment alignment using slice
imaging
AU T.Peter Rakitzis and Theofanis N.Kitsopoulos
PP 9228-9231
TE Submillimeter-wave spectra of HCS and DCS
AU Hideta Habara, Satoshi Yamamoto, and Takayoshi Amano
PP 9232-9238
TE Laser spectroscopic study of the SiAr van der Waals complex
AU Chong Tao, Alexey Teslja, Paul J.Dagdigian, Sule Atahan,
and Millard H.Alexander
PP 9239-9248
TE Ab initio ground state potential energy surfaces for Rg-Br_{2}
(Rg=He, Ne, Ar) complexes
AU Rita Prosmiti, Carlos Cunha, Pablo Villarreal, and Gerardo Delgado-Barrio
PP 9249-9254
TE The ab initio potential energy surface and
vibrational-rotational energy levels of dilithium monoxide, Li_{2}O
AU Jacek Koput and Kirk A.Peterson
PP 9255-9260
TE Electronic excitation and optical cross sections of methylamine
and ethylamine in the UV-VUV spectral region
AU M.-J.Hubin-Franskin, J.Delwiche, A.Giuliani, M.-P.Ska,
F.Motte-Tollet, I.C.Walker, N.J.Mason, J.M.Gingell, and N.C.Jones
PP 9261-9268
TE Ab initio potentials for the S(^{3}P_{j})-rare gas dimers:
Implementation for elastic and inelastic collisions and
comparison with scattering potentials
AU J.Klos, G.Chalasinski, Roman V.Krems, A.A.Buchachenko,
Vincenzo Aquilanti, Fernando Pirani, and David Cappelletti
PP 9269-9280
TE Investigation of the state-to-state rotational relaxation rate
constants for carbon monoxide (CO) using infrared double resonance
AU Steve P.Phipps, Tony C.Smith, Gordon D.Hager, Michael C.Heaven,
J.K.McIver, and W.G.Rudolph
PP 9281-9292
TE The Doppler-free two-photon absorption spectroscopy of
naphthalene with Zeeman effects
AU Mitsushi Okubo, Masatoshi Misono, Jinguo Wang, Masaaki Baba,
and Hajime Kato
PP 9293-9299
TE Structure, collective hydrogen transfer, and formation of
Si(OH)_{4} in SiO_{2}-(H_{2}O)_{n} clusters
AU Hai-Ping Cheng, Robert N.Barnett, and Uzi Landman
PP 9300-9304
TE Theoretical investigation of the X ^{2}Sigma^{+}, A ^{2}Pi, and
B ^{2}Sigma^{+} states of LiAr and LiKr
AU Ioannis S.K.Kerkines and Aristides Mavridis
PP 9305-9314
TE Vibronic structure and photodissociation dynamics of the
A~ state of jet-cooled ammonia
AU Andreas Bach, J.Matthew Hutchison, Robert J.Holiday, and F.Fleming Crim
PP 9315-9325
TE Study of isotope effects in the photoionization of HI and DI
using phase lag spectroscopy
AU Ani Khachatrian, Richard Billotto, Langchi Zhu, Robert J.Gordon,
and Tamar Seideman
PP 9326-9332
Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation
TE Wavelength-dependent resonant homodyne and heterodyne transient
grating spectroscopy with a diffractive optics method: Solvent
effect on the third-order signal
AU Qing-Hua Xu, Ying-Zhong Ma, Igor V.Stiopkin, and Graham R.Fleming
PP 9333-9340
TE Instantaneous collision complexes in molten alkali halides:
Picosecond dynamics from low-frequency Raman data
AU Sviatoslav A.Kirillov, Evangelia A.Pavlatou, and George N.Papatheodorou
PP 9341-9351
TE The melting lines of model systems calculated from coexistence
simulations
AU James R.Morris and Xueyu Song
PP 9352-9358
TE An inhomogeneous model of protein dielectric properties:
Intrinsic polarizabilities of amino acids
AU Xueyu Song
PP 9359-9363
TE Vibrational overtones and rotational structure of HCl in rare
gas matrices
AU V.Berghof, M.Martins, B.Schmidt, and N.Schwentner
PP 9364-9373
TE Evidence for transient kinetics of nucleation as responsible for
the isothermal transformation of supercooled liquid into the
glacial state of triphenyl phosphite
AU Alain Hedoux, Yannick Guinet, Michel Foulon, and Marc Descamps
PP 9374-9382
TE Many-body effects in the stimulated Raman response of binary
mixtures: A comparison between theory and experiment
AU Thomas l.C.Jansen, Audrius Pugzlys, Gheorghe Dan Cringus,
Jaap G.Snijders, and Koos Duppen
PP 9383-9391
TE Lower free energy bound for hard-sphere perturbation theory
AU K.K.Mon
PP 9392-9394
TE Density functional theory calculations of the energy and free
energy of anisotropic multicomponent mixtures
AU Martin P.Chernoff, Gregory L.Aranovich, and Marc D.Donohue
PP 9395-9403
TE Computationally useful bridge diagram series. II. Diagrams in h-bonds
AU John S.Perkyns, Kippi M.Dyer, and B.Montgomery Pettitt
PP 9404-9412
TE Computationally useful bridge diagram series. III. Lennard-Jones
mixtures
AU Kippi Dyer, John Perkyns, and B.Montgomery Pettitt
PP 9413-9421
Surfaces, Interfaces, and Materials
TE Simultaneous calculation of the helical pitch and the twist
elastic constant in chiral liquid crystals from intermolecular torques
AU Guido Germano, Michael P.Allen, and Andrew J.Masters
PP 9422-9430
TE Geometric quantization of curvature energy in equipotential
surfaces of ionic crystals
AU Paul J.F.Gandy and Jacek Klinowski
PP 9431-9434
TE Dissociative and diffractive scattering of H_{2} from Pt(111): A
four-dimensional quantum dynamics study
AU E.Pijper, G.J.Kroes, R.A.Olsen, and E.J.Baerends
PP 9435-9448
TE Phase speciation by extended x-ray absorption fine structure
spectroscopy
AU Anatoly I.Frenkel, Oded Kleifeld, Stephen R.Wasserman, and Irit Sagi
PP 9449-9456
TE The singlet-triplet energy gap in organic and Pt-containing
phenylene ethynylene polymers and monomers
AU A.Koehler, J.S.Wilson, R.H.Friend, M.K.Al-Suti, M.S.Khan,
A.Gerhard, and H.Baessler
PP 9457-9463
TE Comments on the use of the Einstein equation for transport
diffusion: Application to argon in AlPO_{4}-5
AU H.L.Tepper and W.J.Briels
PP 9464-9474
TE Dilution and cluster contributions to hopping transport in a
bias field
AU J.M.Sin and Z.G.Soos
PP 9475-9484
TE Temperature dependence of nonradiative transitions: A
nonperturbative theory
AU V.Hizhnyakov and Helle Kaasik
PP 9485-9491
TE Strained gallium nitride nanowires
AU Hee Won Seo, Seung Yong Bae, Jeunghee Park, Hyunik Yang,
Kwang Soo Park, and Sangsig Kim
PP 9492-9499
TE Wetting-induced interaction between rigid nanoparticle and
plate: A Monte Carlo study
AU Hiroyuki Shinto, Katsushige Uranishi, Minoru Miyahara, and Ko Higashitani
PP 9500-9509
Polymers, Biopolymers, and Complex Systems
TE Effect of compression on the molecular shape of polymer
mushrooms with variable stiffness
AU Tomas Edvinsson, Christer Elvingson, and Gustavo A.Arteca
PP 9510-9517
TE Phase behavior and structure of star-polymer-colloid mixtures
AU J.Dzubiella, C.N.Likos, and H.Loewen
PP 9518-9530
TE Effect of nonmesogenic solute on the nematic-smectic-A phase transition
AU Prabir K.Mukherjee
PP 9531-9536
TE Extension of the Zimm and Rouse model to a polymer chain
confined by a harmonic potential in theta-solvent conditions
AU Rob Wenczel and Chwen-Yang Shew
PP 9537-9544
LETTERS TO THE EDITOR
Errata
TE Erratum: "Band structures and thermoelectric properties 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}" [J. Chem. Phys.,
v.115, 8060 (2001)]
AU Nick P.Blake, Susan Latturner, J.Dan Bryan, Galen D.Stucky,
and Horia Metiu
PP 9545-9547