The Journal of Chemical Physics, 2004, V 120, N 3, January 15.

	COMMUNICATIONS


TE Quantum mechanical map for protein-ligand binding with
   application to beta-trypsin/benzamidine complex
AU Da W.Zhang, Yun Xiang, Ai M.Gao, and John Z.H.Zhang
PP 1145-1148

TE Isotropic-liquid crystalline phase diagram of a CdSe nanorod
   solution
AU Liang-shi Li, Malgorzata Marjanska, Gregory H.J.Park,
   Alexander Pines, and A.Paul Alivisatos
PP 1149-1152

TE Rules for minimal atomic multipole expansion of molecular fields
AU E.V.Tsiper and K.Burke
PP 1153-1156

TE Capillary force in atomic force microscopy
AU Joonkyung Jang, George C.Schatz, and Mark A.Ratner
PP 1157-1160

TE Full S matrix calculation via a single real-symmetric Lanczos
   recursion: The Lanczos artificial boundary inhomogeneity method
AU Hong Zhang and Sean C.Smith
PP 1161-1163

TE Vibrational mode selectivity in hyperfine interactions:
   Polarization quantum beat spectroscopy of HCF(A~^{1}A")
AU Ionela Ionescu, Haiyan Fan, Chris Annesley, Ju Xin, and
   Scott A.Reid
PP 1164-1167

TE Infrared matrix-isolation spectroscopy using pulsed deposition
   of p-H_{2}
AU Yu-Jong Wu, Xueming Yang, and Yuan-Pern Lee
PP 1168-1171

	ARTICLES

Theoretical Methods and Algorithms

TE Theory of time-resolved photoelectron imaging. Comparison of a
   density functional with a time-dependent density functional
   approach
AU Yoshi-ichi Suzuki, Tamar Seideman, and Mauro Stener
PP 1172-1180

TE Energy conserving approximations to the quantum potential:
   Dynamics with linearized quantum force
AU Sophya Garashchuk and Vitaly A.Rassolov
PP 1181-1190

TE Wavelet treatment of structure and thermodynamics of simple
   liquids
AU G.N.Chuev and M.V.Fedorov
PP 1191-1196

TE Predicting shielding constants in solution using gauge invariant
   atomic orbital theory and the effective fragment potential method
AU Mark A.Freitag, Brandon Hillman, Anubhav Agrawal, and
   Mark S.Gordon
PP 1197-1202

Gas Phase Dynamics and Structure: Spectroscopy,
Molecular Interactions, Scattering, and Photochemistry

TE Ab initio torsional potential and transition frequencies of
   acetaldehyde
AU Attila G.Csaszar, Viktor Szalay, and Maria L.Senent
PP 1203-1207

TE A theory of nonvertical triplet energy transfer in terms of
   accurate potential energy surfaces: The transfer reaction from
   pi,pi^{*} triplet donors to 1,3,5,7-cyclooctatetraene
AU Luis Manuel Frutos, Obis Castan~o, Jose Luis Andres,
   Manuela Merchan, and A.Ulises Acun~a
PP 1208-1216

TE DFT:B3LYP ab initio molecular dynamics study of the Zundel and
   Eigen proton complexes, H_{5}O_{2}^{+} and H_{9}O_{4}^{+}, in
   the triplet state in gas phase and solution
AU Alexander A.Tulub
PP 1217-1222

TE A concerted three-body formation X+Y+C_{2}H_{4} in the
   photodissociation of CH_{2}XCH_{2}Y (X,Y=Br,Cl) at 193 nm
AU Ya-Rong Lee, Cheng-Chu Chen, and Shen-Maw Lin
PP 1223-1230

TE Quantum wave packet and quasiclassical trajectory studies of
   OH+CO: Influence of the reactant channel well on thermal rate
   constants
AU Dmitry M.Medvedev, Stephen K.Gray, Evelyn M.Goldfield,
   Matthew J.Lakin, Diego Troya, and George C.Schatz
PP 1231-1238

TE Laser-induced fluorescence spectroscopy of
   3,4,9,10-perylenetetracarboxylic-dianhydrid in helium
   nanodroplets
AU M.Wewer and F.Stienkemeier
PP 1239-1244

TE CASSCF and CASPT2 studies on the structures, transition
   energies, and dipole moments of ground and excited states for
   azulene
AU Akinori Murakami, Takao Kobayashi, Alexander Goldberg, and
   Shinichiro Nakamura
PP 1245-1252

TE Activation barriers and rate constants for hydration of platinum
   and palladium square-planar complexes: An ab initio study
AU Jaroslav V.Burda, Michal Zeizinger, and Jerzy Leszczynski
PP 1253-1262

TE Zero kinetic energy photoelectron study of SO_{2}^{+}(X
   ^{2}A_{1}) using coherent extreme ultraviolet radiation
AU Yuxiang Mo, Jie Yang, and Guanying Chen
PP 1263-1270

TE Nonadiabatic interactions in wave packet dynamics of the
   bromoacetyl chloride photodissociation
AU B.Lasorne, M.-C.Bacchus-Montabonel, N.Vaeck, and
   M.Desouter-Lecomte
PP 1271-1278

TE The dissociation adiabaticity parameter and the strong field
   dissociation of HCl^{+}
AU Jeffrey T.Paci and David M.Wardlaw
PP 1279-1291

TE Franck-Condon simulation of the single vibronic level emission
   spectra of HSiF and DSiF including anharmonicity
AU Daniel K.W.Mok, Edmond P.F.Lee, Foo-tim Chau, and John M.Dyke
PP 1292-1305

TE A study of the mode-selective trans-cis isomerization in HONO
   using ab initio methodology
AU Falk Richter, Majdi Hochlaf, Pavel Rosmus, Fabien Gatti, and
   Hans-Dieter Meyer
PP 1306-1317

TE Improved LeRoy-Bernstein near-dissociation expansion formula,
   and prospect for photoassociation spectroscopy
AU Daniel Comparat
PP 1318-1329

TE An ab initio theoretical prediction: An antiaromatic ring
   pi-dihydrogen bond accompanied by two secondary interactions in
   a "wheel with a pair of pedals" shaped complex
   FH...C_{4}H_{4}...HF
AU Di Wu, Zhi-Ru Li, Xi-Yun Hao, A.F.Jalbout, L.Adamowicz,
   Ru-Jiao Li, and Chia-Chung Sun
PP 1330-1335

TE Electron and nuclear dynamics of molecular clusters in
   ultraintense laser fields. I. Extreme multielectron ionization
AU Isidore Last and Joshua Jortner
PP 1336-1347

TE Electron and nuclear dynamics of molecular clusters in
   ultraintense laser fields. II. Electron dynamics and outer
   ionization of the nanoplasma
AU Isidore Last and Joshua Jortner
PP 1348-1360

Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation

TE Applications of pi-photon-induced transparency in two-frequency
   pulse electron paramagnetic resonance experiments
AU Matvey Fedin, Moritz Kaelin, Igor Gromov, and Arthur Schweiger
PP 1361-1368

TE Solvatochromic and thermochromic shifts of electronic spectra of
   polar solute molecules in a mixture of polar and nonpolar
   solvent; the role of solvent-solvent interactions
AU Sergej K.Gorbatsevich and Olga Yu.Smirnova
PP 1369-1374

TE Dipole solvation in dielectrics
AU Dmitry V.Matyushov
PP 1375-1382

TE Environmental swap energy and role of configurational entropy in
   transfer of small molecules from water into alkanes
AU Pavel Smejtek and Robert C.Word
PP 1383-1394

TE Molecular-dynamics studies of surface of ice Ih
AU Tomoko Ikeda-Fukazawa and Katsuyuki Kawamura
PP 1395-1401

TE Ion mobilities and microscopic dynamics in liquid (Li,K)Cl
AU Ben Morgan and Paul A.Madden
PP 1402-1413

TE Photochemistry in the charge transfer and neutral excited states
   of HCl in Xe and Kr matrices
AU V.Berghof, M.S.Gudipati, and N.Schwentner
PP 1414-1425

TE Dynamic light scattering in liquid and supercooled
   diphenylmethane
AU J.E.F.Rubio, V.G.Baonza, M.Taravillo, J.Nun~ez, and M.Caceres
PP 1426-1435

TE Low temperature electron transfer in strongly condensed phase
AU Joachim Ankerhold and Hartwig Lehle
PP 1436-1449

TE Experimental CC Stretching phonon dispersion curves and electron
   phonon coupling in polyene derivatives
AU A.Bianco, M.Del Zoppo, and G.Zerbi
PP 1450-1457

TE A fully self-consistent treatment of collective fluctuations in
   quantum liquids
AU Eran Rabani and David R.Reichman
PP 1458-1465

TE Nonresonant holeburning in the Terahertz range: Brownian
   oscillator model
AU Uli Haeberle and Gregor Diezemann
PP 1466-1476

TE Non-Gaussian statistics of amide I mode frequency fluctuation of
   N-methylacetamide in methanol solution: Linear and nonlinear
   vibrational spectra
AU Kijeong Kwac, Hochan Lee, and Minhaeng Cho
PP 1477-1490

TE Semiclassical calculation of the vibrational echo
AU W.G.Noid, Gregory S.Ezra, and Roger F.Loring
PP 1491-1499

Surfaces, Interfaces, and Materials

TE Charge transfer mechanism in hybrid bulk heterojunction
   composites
AU Erol Kucur, Juergen Riegler, Gerald A.Urban, and Thomas Nann
PP 1500-1505

TE Attraction-driven disorder in a hard-core colloidal monolayer
AU Adrian Huerta, Gerardo G.Naumis, Darsh T.Wasan,
   Douglas Henderson, and Andrij Trokhymchuk
PP 1506-1510

TE Surface nuclear spin relaxation of ^{199}Hg
AU M.V.Romalis and L.Lin
PP 1511-1515

TE Adsorption, desorption, and clustering of H_{2}O on Pt(111)
AU John L.Daschbach, Brandon M.Peden, R.Scott Smith, and Bruce D.Kay
PP 1516-1523

TE Adsorption and order formation of colloidal nanoparticles on a
   substrate: A Brownian dynamics study
AU Minoru Miyahara, Satoshi Watanabe, Yoshiaki Gotoh, and
   Ko Higashitani
PP 1524-1534

TE Interfacial statistical geometry: Fluids adsorbed in wedges and
   at edges
AU J.R.Henderson
PP 1535-1541

TE Theoretical analysis of electron transport through organic
   molecules
AU John Tomfohr and Otto F.Sankey
PP 1542-1554

TE Indirect adsorbate-adsorbate interactions mediated through the
   surface electronic structure of the Si(100) surface
AU Yuniarto Widjaja and Charles B.Musgrave
PP 1555-1559

TE The chemical shifts of Xe in the cages of clathrate hydrate
   Structures I and II
AU Dirk Stueber and Cynthia J.Jameson
PP 1560-1571

TE The dynamics of endohedral complex formation in surface pick-up
   scattering as probed by kinetic energy distributions: Experiment
   and model calculation for Cs@C_{60}^{+}
AU A.Kaplan, Y.Manor, A.Bekkerman, B.Tsipinyuk, and E.Kolodney
PP 1572-1584

TE Surface-plasmon-resonance-enhanced cavity ring-down detection
AU Andrew C.R.Pipino, John T.Woodward, Curtis W.Meuse, and
   Vitalii Silin
PP 1585-1593

Polymers, Biopolymers, and Complex Systems

TE Bead-bead interaction parameters in dissipative particle
   dynamics: Relation to bead-size, solubility parameter, and
   surface tension
AU Amitesh Maiti and Simon McGrother
PP 1594-1601

TE Contact pair dynamics during folding of two small proteins:
   Chicken villin head piece and the Alzheimer protein beta-amyloid
AU Arnab Mukherjee and Biman Bagchi
PP 1602-1612

TE Vacuum-ultraviolet spectroscopy of poly(methylphenylsilylene)
AU Carol C.Phifer, William J.Thomes, Jr., Kelly Simmons-Potter, and
   B.G.Potter, Jr.
PP 1613-1616

TE Spatial regimes in the dynamics of polyolefins: Collective motion
AU Arun Neelakantan and Janna K.Maranas
PP 1617-1626

TE The behavior of the form factor in two dimensions for linear
   polymers in different regimes
AU Sr.Joan Harnett and Marvin Bishop
PP 1627-1631

TE Thermodiffusion of interacting colloids. I. A statistical
   thermodynamics approach
AU Jan K.G.Dhont
PP 1632-1641

TE Thermodiffusion of interacting colloids. II. A microscopic
   approach
AU Jan K.G.Dhont
PP 1642-1653

	LETTERS TO THE EDITOR

Notes

TE The melting lines of model silicon calculated from coexisting
   solid-liquid phases
AU S.Yoo, X.C.Zeng, and James R.Morris
PP 1654-1656

Comments

TE Comment on "An interpretation of the low-frequency spectrum of
   liquid water" [J. Chem. Phys., v.118, 452 (2003)]
AU Alberto De Santis, Alessandro Ercoli, and Dario Rocca
PP 1657-1658

TE Response to "Comment on `An interpretation of the low-frequency
   spectrum of liquid water'" [J. Chem. Phys., v.118, 452 (2003)]
AU Joan Angel Padro and Jordi Marti
PP 1659-1660

Errata

TE Erratum: On the structure of polyelectrolyte solutions near the
   idealized counterion condensation threshold [J. Chem. Phys.,
   v.116, 5315 (2002)]
AU James P.Donley
PP 1661-1662