The Journal of Chemical Physics, 2004, V 121, N 3, July 15.

 Kinetic isotope effect in hydrogen transfer 
 arising from the effects of rotational 
 excitation and occurrence of hydrogen 
 tunneling in molecular systems
 Adolf Miklavc
 pp. 1171-1174
  
 Plane wave packet formulation of 
 atom-plus-diatom quantum reactive scattering
 Stuart C. Althorpe
 pp. 1175-1186
  
 Efficient hybrid density functional 
 calculations in solids: Assessment of the 
 Heyd–Scuseria–Ernzerhof screened 
 Coulomb hybrid functional
 Jochen Heyd and Gustavo E. Scuseria
  pp. 1187-1192

 Mapping potential energy surfaces
 Yudong Wu, Jeffrey D. Schmitt, 
 and Roberto Car
 pp. 1193-1200

 Perturbation theory corrections to the
 two-particle reduced density matrix 
 variational method
Tamas Juhasz and David A. Mazziotti
pp. 1201-1205

 Singular value decomposition applied
 to the compression of T3 amplitude
 for the coupled cluster method
 Osamu Hino, Tomoko Kinoshita, 
 and Rodney J. Bartlett
 pp. 1206-1213

 Second-order Moller–Plesset theory
 with linear R12 terms (MP2-R12) revisited: 
 Auxiliary basis set method and 
 massively parallel implementation
 Edward F. Valeev and Curtis L. Janssen
 pp. 1214-1227

Continuum equations for magnetic and
dielectric fluids with internal rotations
Ronald E. Rosensweig
pp. 1228-1242

 A diagrammatic formulation of the kinetic
 theory of fluctuations in equilibrium
 classical fluids. IV. The short time 
 behavior of the memory function
 Madhav Ranganathan and Hans C. Andersen
 pp. 1243-1257

 Perturbational relativistic theory of electron
 spin resonance g-tensor
 Pekka Manninen, Juha Vaara, 
 and Kenneth Ruud
 pp. 1258-1265

 LocalSCF method for semiempirical 
 quantum-chemical calculation of 
 ultralarge biomolecules
 N. A. Anikin, V. M. Anisimov, V. L. Bugaenko, 
 V. V. Bobrikov, and A. M. Andreyev
 pp. 1266-1270

 Six-dimensional vibrational analysis
 of coupled intermolecular vibrations
 in a binary cluster
 A. Jansen and M. Gerhards
 pp. 1271-1277

 Absolute intensities of Raman trace 
 scattering from bicyclo-[1.1.1]-pentane
 Richard Dawes and Kathleen M. Gough
 pp. 1278-1284

 Reactions of C(1D) with H2 and its
 deuterated isotopomers, a wave packet study
 Shi Ying Lin and Hua Guo
 pp. 1285-1292

 Photodissociation of HCl and small
 (HCl)m complexes in and on large Arn clusters
 N. Hendrik Nahler, Michal Farnik, 
 Udo Buck, Holger Vach, and R. Benny Gerber
 pp. 1293-1302

 Electron attachment on HI and DI in 
 a uniform supersonic flow: 
 Thermalization of the electrons
 F. Goulay, C. Rebrion-Rowe, 
 S. Carles, J. L. Le Garrec, 
 and B. R. Rowe
 pp. 1303-1308

 Infrared–infrared double resonance
 spectroscopy of cyanoacetylene
 in helium nanodroplets
 J. M. Merritt, G. E. Douberly, and R. E. Miller
 pp. 1309-1316

 Theoretical analysis of singlet and
 triplet excited states of nickel porphyrins
 Serguei Patchkovskii, Pawel M. Kozlowski, 
 and Marek Z. Zgierski
 pp. 1317-1324

 New ab initio potential energy surface
 for the (HOCO+-He) van der Waals complex
 K. Hammami, N. Jaidane, Z. Ben Lakhdar, 
 A. Spielfiedel, and N. Feautrier
 pp. 1325-1330

 Rotational isomerism of acetic acid
 isolated in rare-gas matrices: Effect
 of medium and isotopic substitution
 on IR-induced isomerization quantum
 yield and cistrans tunneling rate
 E. M. S. Macoas, L. Khriachtchev,
 M. Pettersson, R. Fausto, and M. Rasanen
 pp. 1331-1338

 Molecular beam scattering of NO + Ne: 
 A joint theoretical and experimental study
 Y. Kim, H. Meyer, and M. H. Alexander
 pp. 1339-1349

 Electron-impact ionization of
 CCl4 and CCl2F2
 B. G. Lindsay, K. F. McDonald, 
 W. S. Yu, R. F. Stebbings, and F. B. Yousif
 pp. 1350-1356

 Quantum Monte Carlo study of the
 reaction: Cl + CH3OHCH2OH + HCl
 A. C. Kollias, O. Couronne, and W. A. Lester, Jr.
 pp. 1357-1363

 Complete quantum control of the 
 population transfer branching ratio 
 between two degenerate target states
 Jiangbin Gong and Stuart A. Rice
 pp. 1364-1372

 Rotational energy transfer in NO 
 (A 2+,v = 0) by N2 and O2 at
 room temperature
 Seonkyung Lee, Jorge Luque, 
 Julie Reppel, Austin Brown,
 and David R. Crosley
 pp. 1373-1382

 Ab initio vibrational state calculations
 with a quartic force field: Applications
 to H2CO, C2H4, CH3OH, CH3CCH,
 and C6H6
 Kiyoshi Yagi, Kimihiko Hirao, 
 Tetsuya Taketsugu, Michael W. Schmidt, 
 and Mark S. Gordon
 pp. 1383-1389

 The chlorobenzene-argon ground state
 intermolecular potential energy surface
 Cristian Robert Munteanu, 
 Javier Lopez Cacheiro, Berta Fernandez, 
 and Jan Makarewicz
 pp. 1390-1396

 Observation and analysis of the 2g(1D)
 ion-pair state of I2: The g/u mixing between
 the 1u(1D) and 2g(1D) states
 Yukio Nakano, Hiromi Ukeguchi, 
 and Takashi Ishiwata
 pp. 1397-1404

 Phosphorus hyperfine structure in the
 electronic spectrum of the HPCl free radical
 Brandon S. Tackett, Dennis J. Clouthier,
 Allan G. Adam, and Scott A. Shepard
 pp. 1405-1411

 The low-lying electronic excited states of NiCO
 ubo Horny, Ankan Paul, Yukio Yamaguchi, 
 and Henry F. Schaefer III
 pp. 1412-1418

 Deflection and deceleration of hydrogen
 Rydberg molecules in inhomogeneous electric fields
 Y. Yamakita, S. R. Procter, A. L. Goodgame,
 T. P. Softley, and F. Merkt
 pp. 1419-1431

 Cis-cis and trans-perp HOONO: Action
 spectroscopy and isomerization kinetics
 Juliane L. Fry, Sergey A. Nizkorodov, 
 Mitchio Okumura, Coleen M. Roehl, 
 Joseph S. Francisco, and Paul O. Wennberg
 pp. 1432-1448

 Microwave spectra and the metal-hydrogen
 bond lengths for the C5H5Mo(CO)3H and
 C5H5W(CO)3H complexes
 Chakree Tanjaroon, Kristen S. Keck, 
 Matthew M. Sebonia, Chandana Karunatilaka, 
 and Stephen G. Kukolich
 pp. 1449-1453

 Numerical and experimental studies of 
 long-range magnetic dipolar interactions
 M. P. Ledbetter, I. M. Savukov, 
 L.-S. Bouchard, and M. V. Romalis
 pp. 1454-1465

 Structure of liquid and glassy methanol
 confined in cylindrical pores
 Denis Morineau, Regis Guegan, 
 Yongde Xia, and Christiane Alba-Simionesco
 pp. 1466-1473

 Thermally stimulated exoelectron 
 emission from solid neon
 Marcin Frankowski, Elena V. Savchenko, 
 Alice M. Smith-Gicklhorn, 
 Oleg N. Grigorashchenko,
 Galina B. Gumenchuk, and Vladimir E. Bondybey
 pp. 1474-1479

 Thermodynamic and structural properties
 of repulsive hard-core Yukawa fluid: 
 Integral equation theory, perturbation
 theory and Monte Carlo simulations
 T. W. Cochran and Y. C. Chiew
 pp. 1480-1486

 Specific heat and Lindemann-like 
 parameter of metallic clusters: 
 Mono- and polyvalent metals
 S. K. Lai, W. D. Lin, K. L. Wu, 
 W. H. Li, and K. C. Lee
 pp. 1487-1498

 Quantum aspects of self-organized
 periodic chemical reactions
 Jii J. Mare, Jii Stavek, and Jaroslav estak
 pp. 1499-1503

 The vibrational spectrum of NF3 and the 
 manifestation of resonant dipole–dipole
 interaction in NF3 solutions in liquid argon
T. D. Kolomiitsova, D. N. Shchepkin, 
K. G. Tokhadze, W. A. Herrebout, 
and B. J. van der Veken
pp. 1504-1515


 Accurate theoretical prediction of vibrational
 frequencies in an inhomogeneous dynamic
 environment: A case study of a glutamate 
 molecule in water solution and in
 a protein-bound form
 Kirill Speranskiy and Maria Kurnikova
 pp. 1516-1524
 
 Binary phase behavior and aggregation 
 of dilute methanol in supercritical 
 carbon dioxide: A Monte Carlo simulation study
 John M. Stubbs and J. Ilja Siepmann
 pp. 1525-1534

 Structures and correlation functions of
 multicomponent and polydisperse 
 hard-sphere mixtures from a 
 density functional theory
 Yang-Xin Yu, Jianzhong Wu, 
 Yu-Xuan Xin, and Guang-Hua Gao
 pp. 1535-1541

 Lifetimes of cagelike water clusters
 immersed in bulk liquid water: 
 A molecular dynamics study on gas 
 hydrate nucleation mechanisms
Guang-Jun Guo, Yi-Gang Zhang, 
Ya-Juan Zhao, Keith Refson, 
and Gui-Hua Shan
pp. 1542-1547

 A consistent integral equation
 theory for hard spheres
Jean-Marc Bomont and 
Jean-Louis Bretonnet
 pp. 1548-1552

 Abnormal IR effects of Pt nanostructured
 surfaces upon CO chemisorption due
 to interaction and electron-hole damping
Chen-Xu Wu, Hai Lin, You-Jiang Chen,
Wen-Xuan Li, and Shi-Gang Sun
pp. 1553-1556

 Theoretical study of the reaction
 of acrylonitrile on Si(001)
 Jun-Hyung Cho and Leonard Kleinman
 pp. 1557-1561


 Rate constant for diffusion-influenced
 ligand binding to receptors of arbitrary
 shape on a cell surface
 Olga K. Dudko, Alexander M. Berezhkovskii, 
 and George H. Weiss
 pp. 1562-1565

 Aging correlation functions for blinking
 nanocrystals, and other on–off 
 stochastic processes
 G. Margolin and E. Barkai
 pp. 1566-1577

 Molecular alignment of rigid rods
 in nonrigid spherical pores
 Yong Chen, Chwen-Yang Shew, 
 Clare V. LeFave, Antoinette Ajavon, 
 and Herbert Fynewever
 pp. 1578-1586

 Nucleation kinetics of folded chain
 crystals of polyethylene on active centers
 Zdenk Koiek, Masamichi Hikosaka, 
 Pavel Demo, and Alexei M. Sveshnikov
 pp. 1587-1590

 A Monte Carlo study of fluctuating
 polymer-grafted membranes
 Mohamed Laradji
 pp. 1591-1600

 Charge and energy dynamics in 
 photo-excited poly(para-phenylenevinylene) 
 systems
 L. Gisslen, A. Johansson, and S. Stafstrom
 pp. 1601-1608

 Long-range ordered structures in diblock
 copolymer melts induced by 
 combined external fields
 Jie Feng and Eli Ruckenstein
 pp. 1609-1625

 Dynamical origin of enhanced 
 conformational searches of 
 Tsallis statistics sampling
 Jae Gil Kim, Yoshifumi Fukunishi, 
 and Haruki Nakamura
 pp. 1626-1635

 The Adam–Gibbs equation and 
 the out-of-equilibrium  relaxation 
 of glass forming systems
 L. Goitiandia and A. Alegria
 pp. 1636-1643

 Comment on "Multicomponent nucleation: 
 Thermodynamically consistent description 
 of the nucleation work" [J. Chem. Phys. 120, 3749 (2004)]
 Jurn W. P. Schmelzer and Vladimir G. Baidakov
 pp. 1644-1645