Journal of Chemical Physics

Journal of Chemical Physics, Vol.121, No.3 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (57 articles)

1171 - 1174	Kinetic isotope effect in hydrogen transfer arising from the effects of rotational excitation and occurrence of hydrogen tunneling in molecular systems Miklavc A
1175 - 1186	Plane wave packet formulation of atom-plus-diatom quantum reactive scattering Althorpe SC
1187 - 1192	Efficient hybrid density functional calculations in solids: Assessment of the Heyd-Scuseria-Ernzerhof screened Coulomb hybrid functional Heyd J, Scuseria GE
1193 - 1200	Mapping potential energy surfaces Wu YD, Schmitt JD, Car R
1201 - 1205	Perturbation theory corrections to the two-particle reduced density matrix variational method Juhasz T, Mazziotti DA
1206 - 1213	Singular value decomposition applied to the compression of T-3 amplitude for the coupled cluster method Hino O, Kinoshita T, Bartlett RJ
1214 - 1227	Second-order Moller-Plesset theory with linear R12 terms (MP2-R12) revisited: Auxiliary basis set method and massively parallel implementation Valeev EF, Janssen CL
1228 - 1242	Continuum equations for magnetic and dielectric fluids with internal rotations Rosensweig RE
1243 - 1257	A diagrammatic formulation of the kinetic theory of fluctuations in equilibrium classical fluids. IV. The short time behavior of the memory function Ranganathan M, Andersen HC
1258 - 1265	Perturbational relativistic-theory of electron spin resonance g-tensor Manninen P, Vaara J, Ruud K
1266 - 1270	LocalSCF method for semiempirical quantum-chemical calculation of ultralarge biomolecules Anikin NA, Anisimov VM, Bugaenko VL, Bobrikov VV, Andreyev AM
1271 - 1277	Six-dimensional vibrational analysis of coupled intermolecular vibrations in a binary cluster Jansen A, Gerhards M
1278 - 1284	Absolute intensities of Raman trace scattering from bicyclo-[1.1.1]-pentane Dawes R, Gough KM
1285 - 1292	Reactions of C(D-1) with H-2 and its deuterated isotopomers, a wave packet study Lin SY, Guo H
1293 - 1302	Photodissociation of HCl and small (HCl)(m) complexes in and on large Ar-n clusters Nahler NH, Farnik M, Buck U, Vach H, Gerber RB
1303 - 1308	Electron attachment on HI and DI in a uniform supersonic flow: Thermalization of the electrons Goulay F, Rebrion-Rowe C, Carles S, Le Garrec JL, Rowe BR
1309 - 1316	Infrared-infrared-double resonance spectroscopy of cyanoacetylene in helium nanodroplets Merritt JM, Douberly GE, Miller RE
1317 - 1324	Theoretical analysis of singlet and triplet excited states of nickel porphyrins Patchkovskii S, Kozlowski PM, Zgierski MZ
1325 - 1330	New ab initio potential energy surface for the (HOCO+-He) van der Waals complex Hammami K, Jaidane N, Ben Lakhdar Z, Spielfiedel A, Feautrier N
1331 - 1338	Rotational isomerism of acetic acid isolated in rare-gas matrices: Effect of medium and isotopic substitution on IR-induced isomerization quantum yield and cis -> trans tunneling rate Macoas EMS, Khriachtchev L, Pettersson M, Fausto R, Rasanen M
1339 - 1349	Molecular beam scattering of NO+Ne: A joint theoretical and experimental study Kim Y, Meyer H, Alexander MH
1350 - 1356	Electron-impact ionization of CCl4 and CCl2F2 Lindsay BG, McDonald KF, Yu WS, Stebbings RF, Yousif FB
1357 - 1363	Quantum Monte Carlo study of the reaction: Cl+CH3OH -> CH2OH+HCl Kollias AC, Couronne O, Lester WA
1364 - 1372	Complete quantum control of the population transfer branching ratio between two degenerate target states Gong JB, Rice SA
1373 - 1382	Rotational energy transfer in NO (A(2)Sigma(+),nu'=0) by N-2 and O-2 at room temperature Lee S, Luque J, Reppel J, Brown A, Crosley DR
1383 - 1389	Ab initio vibrational state calculations with a quartic force field: Applications to H2CO, C2H4, CH3OH, CH3CCH, and C6H6 Yagi K, Hirao K, Taketsugu T, Schmidt MW, Gordon MS
1390 - 1396	The chlorobenzene-argon ground state intermolecular potential energy surface Munteanu CR, Cacheiro JL, Fernandez B, Makarewicz J
1397 - 1404	Observation and analysis of the 2g(D-1) ion-pair state of I-2: The g/u mixing between the 1(u)(D-1) and 2(g)(D-1) states Nakano Y, Ukeguchi H, Ishiwata T
1405 - 1411	Phosphorus hyperfine structure in the electronic spectrum of the HPCl free radical Tackett BS, Clouthier DJ, Adam AG, Shepard SA
1412 - 1418	The low-lying electronic excited states of NiCO Horny L, Paul A, Yamaguchi Y, Schaefer HF
1419 - 1431	Deflection and deceleration of hydrogen Rydberg molecules in inhomogeneous electric fields Yamakita Y, Procter SR, Goodgame AL, Softley TP, Merkt F
1432 - 1448	Cis-cis and trans-perp HOONO: Action spectroscopy and isomerization kinetics Fry JL, Nizkorodov SA, Okumura M, Roehl CM, Francisco JS, Wennberg PO
1449 - 1453	Microwave spectra and the metal-hydrogen bond lengths for the C5H5Mo(CO)(3)H and C5H5W(CO)(3)H complexes Tanjaroon C, Keck KS, Sebonia MM, Karunatilaka C, Kukolich SG
1454 - 1465	Numerical and experimental studies of long-range magnetic dipolar interactions Ledbetter MP, Savukov IM, Bouchard LS, Romalis MV
1466 - 1473	Structure of liquid and glassy methanol confined in cylindrical pores Morineau D, Guegan R, Xia YD, Alba-Simionesco C
1474 - 1479	Thermally stimulated exoelectron emission from solid neon Frankowski M, Savchenko EV, Smith-Gicklhorn AM, Grigorashchenko ON, Gumenchuk GB, Bondybey VE
1480 - 1486	Thermodynamic and structural properties of repulsive hard-core Yukawa fluid: Integral equation theory, perturbation theory and Monte Carlo simulations Cochran TW, Chiew YC
1487 - 1498	Specific heat and Lindemann-like parameter of metallic clusters: Mono-and polyvalent metals Lai SK, Lin WD, Wu KL, Li WH, Lee KC
1499 - 1503	Quantum aspects of self-organized periodic chemical reactions Mares JJ, Stavek J, Sestak J
1504 - 1515	The vibrational spectrum of NF3 and the manifestation of resonant dipole-dipole interaction in NF3 solutions in liquid argon Kolomiitsova TD, Shchepkin DN, Tokhadze KG, Herrebout WA, van der Veken BJ
1516 - 1524	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 Speranskiy K, Kurnikova M
1525 - 1534	Binary phase behavior and aggregation-of dilute methanol in supercritical carbon dioxide: A Monte Carlo simulation study Stubbs JM, Siepmann JI
1535 - 1541	Structures and correlation functions of multicomponent and polydisperse hard-sphere mixtures from a density functional theory Yu YX, Wu JZ, Xin YX, Gao GH
1542 - 1547	Lifetimes of cagelike water clusters immersed in bulk liquid water: A molecular dynamics study on gas hydrate nucleation mechanisms Guo GJ, Zhang YG, Zhao YJ, Refson K, Shan GH
1548 - 1552	A consistent integral equation theory for hard spheres Bomont JM, Bretonnet JL
1553 - 1556	Abnormal IR effects of Pt nanostructured surfaces upon CO chemisorption due to interaction and electron-hole damping Wu CX, Lin H, Chen YJ, Li WH, Sun CG
1557 - 1561	Theoretical study of the reaction, of acrylonitrile on Si(001) Cho JH, Kleinman L
1562 - 1565	Rate constant for diffusion-influenced ligand binding to receptors of arbitrary shape on a cell surface Dudko OK, Berezhkovskii AM, Weiss GH
1566 - 1577	Aging correlation functions for blinking nanocrystals, and other on-off stochastic processes Margolin G, Barkai E
1578 - 1586	Molecular alignment of rigid rods in nonrigid spherical pores Chen Y, Shew CY, LeFave CV, Ajavon A, Fynewever H
1587 - 1590	Nucleation kinetics of folded chain crystals of polyethylene on active centers Kozisek Z, Hikosaka M, Demo P, Sveshnikov AM
1591 - 1600	A Monte Carlo study of fluctuating polymer-grafted membranes Laradji M
1601 - 1608	Charge and energy dynamics in photo-excited poly(para-phenylenevinylene) systems Gisslen L, Johansson A, Stafstrom S
1609 - 1625	Long-range ordered structures in diblock copolymer melts induced by combined external fields Feng J, Ruckenstein E
1626 - 1635	Dynamical origin of enhanced conformational searches of Tsallis statistics sampling Kim JG, Fukunishi Y, Nakamura H
1636 - 1643	The Adam-Gibbs equation and the out-of-equilibrium alpha relaxation of glass forming systems Goitiandia L, Alegria A
1644 - 1645	Comment on "Multicomponent nucleation: Thermodynamically consistent description of the nucleation work" Schmelzer JWP, Baidakov VG