Journal of Chemical Physics

Journal of Chemical Physics, Vol.111, No.14 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (63 articles)

6157 - 6160	Enhanced orientation of polar molecules by combined electrostatic and nonresonant induced dipole forces Friedrich B, Herschbach D
6161 - 6163	The (1)Pi(u)<- X (1)Sigma(+)(g) electronic spectrum of C-5 in the gas phase Motylewski T, Vaizert O, Giesen TF, Linnartz H, Maier JP
6164 - 6167	Iterative evaluation of the path integral for a system coupled to an anharmonic bath Makri N
6168 - 6170	On the scaling of semiclassical initial value methods Brewer ML
6171 - 6179	A formulation and numerical approach to molecular systems by the Green function method without the Born-Oppenheimer approximation Shigeta Y, Nagao H, Nishikawa K, Yamaguchi K
6180 - 6189	Spatial-partitioning-based acceleration for variational Monte Carlo Bressanini D, Reynolds PJ
6190 - 6196	Different description levels of chemical wave front and propagation speed selection Lemarchand A, Nowakowski B
6197 - 6203	Alternative definition of exchange-correlation charge in density functional theory Liu SB, Ayers PW, Parr RG
6204 - 6210	A new variational coupled-electron pair approach to the intermolecular interaction calculation in the framework of the valence bond theory: The case of the water dimer system Specchio R, Famulari A, Sironi M, Raimondi M
6211 - 6222	Quaternion symmetry in relativistic molecular calculations: The Dirac-Hartree-Fock method Saue T, Jensen HJA
6223 - 6229	Linear scaling computation of the Fock matrix. IV. Multipole accelerated formation of the exchange matrix Schwegler E, Challacombe M
6230 - 6237	A spline approach to trial wave functions for variational and diffusion Monte Carlo Bressanini D, Fabbri G, Mella M, Morosi G
6238 - 6246	Ultrafast extended x-ray absorption fine structure (EXAFS) -theoretical considerations Brown FLH, Wilson KR, Cao JS
6247 - 6252	Theory and analysis of sodium dimer Rydberg states observed by all-optical triple resonance spectroscopy Chang ES, Li J, Zhang JM, Tsai CC, Bahns J, Stwalley WC
6253 - 6259	Exploring the spin-orbit reactivity in the simplest chlorine atom reaction Lee SH, Liu KP
6260 - 6263	Mass spectroscopic studies of laser ablated carbon clusters as studied by photoionization with 10.5 eV photons under high vacuum Wakabayashi T, Momose T, Shida T
6264 - 6270	Ultrafast internal conversion and photodissociation of molecules excited by femtosecond 155 nm laser pulses Farmanara P, Steinkellner O, Wick MT, Wittmann M, Korn G, Stert V, Radloff W
6271 - 6282	Photodissociation dynamics of ethanol at 193.3 nm: The H-atom channel and ethoxy vibrational distribution Xu KS, Amaral G, Zhang JS
6283 - 6289	Emission by collisional H-2-He pairs at temperatures from 2 to 20 kK Hammer D, Frommhold L, Meyer W
6290 - 6299	The outer valence photoionization of acetylene Wells MC, Lucchese RR
6300 - 6310	The molecular geometry, harmonic force field, bonding characteristics, and nuclear shielding parameters of OPCl, as determined from high resolution microwave spectra Brupbacher-Gatehouse B, Brupbacher T
6311 - 6315	Quantum Monte Carlo study of rovibrational states utilizing rotating wavefunctions: Application to H2O Acioli PH, Costa LS, Prudente FV
6316 - 6321	Polarizabilities of the rare-gas homonuclear diatoms Ceccherini S, Moraldi M, Frommhold L
6322 - 6332	Interpolated potential energy surface and reaction dynamics for O(P-3)+H-3(+)((1)A(1)(')) and OH+((3)Sigma(-))+H-2((1)Sigma(+)(g)) Bettens RPA, Hansen TA, Collins MA
6333 - 6344	Electronic isomers in [(CO2)(n)ROH](-) cluster anions. II. Ab initio calculations Saeki M, Tsukuda T, Iwata S, Nagata T
6345 - 6349	Microwave spectrum of the NI radical in the X-3 Sigma(-) ground state Sakamaki T, Okabayashi T, Tanimoto M
6350 - 6355	Determination of the heat of formation of O-3 using vacuum ultraviolet laser-induced fluorescence spectroscopy and two-dimensional product imaging techniques Taniguchi N, Takahashi K, Matsumi Y, Dylewski SM, Geiser JD, Houston PL
6356 - 6362	Laser-induced fluorescence of the CD2CFO radical Inomata S, Furubayashi M, Imamura T, Washida N, Yamaguchi M
6363 - 6374	The tetrahydrofuran center dot center dot center dot hydrogen chloride complex: Rotational spectrum and theoretical analysis Lopez JC, Alonso JL, Lorenzo FJ, Rayon VM, Sordo JA
6375 - 6384	Rotational spectrum, ring-puckering vibration and ab initio calculations on 1,1-difluorocyclobutane Lesarri A, Lopez JC, Alonso JL, Wlodarczak G, Demaison J
6385 - 6395	Fine and hyperfine interactions in CrN and MoN Namiki KC, Steimle TC
6396 - 6406	Low-energy electron scattering by H2O, H2S, H2Se, and H2Te Varella MTD, Bettega MHF, Lima MAP, Ferreira LG
6407 - 6412	Vector properties of O(P-3) and O(D-1) in OH photodissociation: Near-threshold resonance, neighboring resonance, and above-threshold behavior Lee S
6413 - 6421	An experimental and theoretical study of the spin-orbit interaction for CO+(A (2)Pi(3/2,1/2), v(+)=0-41) and O-2(+)(X (2)Pi(3/2,1/2g), v(+)=0-38) Fedorov DG, Evans M, Song Y, Gordon MS, Ng CY
6422 - 6433	The chemistry of superheavy elements. III. Theoretical studies on element 113 compounds Seth M, Schwerdtfeger P, Faegri K
6434 - 6438	Spectroscopic analysis of an unusual Ca center dot Xe[(3)Sigma(-)]<- Ca(4s4p pi P-3(0))center dot Xe[(3)Pi(-)(0)] transition Leung AWK, Bellert D, Breckenridge WH
6439 - 6445	Ab initio potential energy surfaces of He-CO2 and Ne-CO2 van der Waals complexes Negri F, Ancilotto F, Mistura G, Toigo F
6446 - 6455	Description of spin interactions in model [Fe6S6](4+) supercluster Matusiewicz M, Czerwinski M, Kasperczyk J, Kityk IV
6456 - 6461	Resonance Raman spectroscopy of matrix-isolated mass-selected Fe-3 and Ag-3 Haslett TL, Bosnick KA, Fedrigo S, Moskovits M
6462 - 6470	Calorimetric indications of a cooperativity onset in the crossover region of dynamic glass transition for benzoin isobutylether Kahle S, Schroter K, Hempel E, Donth E
6471 - 6473	An integral representation of isolated binary collisions in vibrational relaxation Cherayil BJ
6474 - 6480	Ultrafast spectroscopy of dark states in solid state sexithiophene Lanzani G, Cerullo G, Stagira S, De Silvestri S, Garnier F
6481 - 6491	Two novel approaches to the Kramers rate problem in the spatial diffusion regime Drozdov AN
6492 - 6500	Intermolecular energy transfer in liquid water and its contribution to heat conduction: A molecular dynamics study Ohara T
6501 - 6509	Multiple spin echo generation by gradients of the radio frequency amplitude: Two-dimensional nutation spectroscopy and multiple rotary echoes Kimmich R, Ardelean I, Lin YY, Ahn S, Warren WS
6510 - 6520	Quantum beats and ultrafast solvation dynamics Zolotov B, Huppert D, Fainberg BD
6521 - 6527	Homogeneous nucleation rates of supercooled water measured in single levitated microdroplets Kramer B, Hubner O, Vortisch H, Woste L, Leisner T, Schwell M, Ruhl E, Baumgartel H
6528 - 6537	Numerical simulations of Coulomb systems: A comparison between hyperspherical and periodic boundary conditions Caillol JM
6538 - 6547	Thermodynamic limit of the excess internal energy of the fluid phase of a one-component plasma: A Monte Carlo study Caillol JM
6548 - 6555	Spin echoes of nuclear magnetization diffusing in a constant magnetic field gradient and in a restricted geometry Sen PN, Andre A, Axelrod S
6556 - 6564	Molecular dynamics studies of semifluorinated hydrocarbon monolayers Kim N, Shin S
6565 - 6572	Dissociation of ICl-(CO2)(n) by its impact on silicon surface: The role of core ion Koizumi S, Yasumatsu H, Terasaki A, Kondow T
6573 - 6578	Structure of binary hard-sphere mixtures near a hard wall: A simple weighted-density-functional approach Patra CN
6579 - 6589	CO-oxidation model with superlattice ordering of adsorbed oxygen. I. Steady-state bifurcations James EW, Song C, Evans JW
6590 - 6598	Investigations of surface forces between gypsum crystals in electrolytic solutions using microcantilevers Finot E, Lesniewska E, Mutin JC, Goudonnet JP
6599 - 6609	Universal correlation between energy gap and foldability for the random energy model and lattice proteins Buchler NEG, Goldstein RA
6610 - 6616	Energy landscape of a model protein Miller MA, Wales DJ
6617 - 6624	Coexistence curve of polystyrene in methylcyclohexane. X. Two-phase coexistence curves for ternary solutions near the tricritical compositions Nakata M, Dobashi T, Inakuma Y, Yamamura K
6625 - 6632	Analytical rebridging Monte Carlo: Application to cis/trans isomerization in proline-containing, cyclic peptides Wu MHG, Deem MW
6633 - 6642	Integral equation theory of flexible polyelectrolytes. II. Primitive model approach Dymitrowska M, Belloni L
6643 - 6649	Theoretical characterization of the electronic properties of extended thienylenevinylene oligomers Krzeminski C, Delerue C, Allan G, Haguet V, Stievenard D, Frere P, Levillain E, Roncali J
6650 - 6651	The fluorescence excitation spectra of the A (1)A(u)(S-1)-X (1)A(g)(S-0) transition of biacetyl: Determination of the band origin Chen Y, Pei LS, Jin J, Gao YD, Ma XX, Chen CX
6652 - 6652	Calculating frequency-dependent hyperpolarizabilities using time-dependent density functional theory (vol 109, pg 10644, 1998) van Gisbergen SJA, Snijders JG, Baerends EJ