Journal of Chemical Physics

Journal of Chemical Physics, Vol.116, No.23 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (57 articles)

10041 - 10050	Quasi-isotropic single-transition cross-polarization in nuclear magnetic resonance Eykyn TR, Ferrage F, Bodenhausen G
10051 - 10059	Quantum-classical description of rotational diffractive scattering using Bohmian trajectories: Comparison with full quantum wave packet results Gindensperger E, Meier C, Beswick JA, Heitz MC
10060 - 10068	Direct generation of local orbitals for multireference treatment and subsequent uses for the calculation of the correlation energy Maynau D, Evangelisti S, Guihery N, Calzado CJ, Malrieu JP
10069 - 10082	Quantum-phase dynamics of dimer systems interacting with a two-mode squeezed coherent field Nakano M, Yamaguchi K
10083 - 10091	"Coarse" stability and bifurcation analysis using stochastic simulators: Kinetic Monte Carlo examples Makeev AG, Maroudas D, Kevrekidis IG
10092 - 10098	Association-dissociation in solution/Long-time relaxation prediction by a mode coupling approach Naumann W
10099 - 10121	The influence of finite bandwidth excitation sources in degenerate four-wave mixing spectroscopy Wasserman TAW, Vaccaro PH, Johnson BR
10122 - 10128	A highly efficient algorithm for electron repulsion integrals over relativistic four-component Gaussian-type spinors Yanai T, Nakajima T, Ishikawa Y, Hirao K
10129 - 10138	Energy correction to simulation of volume polarization in reaction field theory Chipman DM
10139 - 10147	Varying the fraction of orbital exchange in density functional theory: Influence on nuclear magnetic resonance shielding constants Wilson PJ, Tozer DJ
10148 - 10163	Spectroscopic determination of the water dimer intermolecular potential-energy surface Goldman N, Fellers RS, Brown MG, Braly LB, Keoshian CJ, Leforestier C, Saykally RJ
10164 - 10169	Formation of anion fragments from gas-phase glycine by low energy (0-15 eV) electron impact Gohlke S, Rosa A, Illenberger E, Bruning F, Huels MA
10170 - 10182	Vibrational effects in a weakly-interacting quantum solvent: The CO molecule in He-4 gas and in He-4 droplets Paesani F, Gianturco FA
10183 - 10196	Dynamically localized wave packets as a tool to study the dynamics of the LiNC reversible arrow LiCN isomerization reaction Martin-Fierro E, Borondo F, Llorente JMG, Benito RM
10197 - 10200	SVRT calculation for bond-selective reaction H+HOD -> H-2+OD, HD+OH Zhang X, Han KL, Zhang JZH
10201 - 10211	Gas phase trapped ion studies of collisionally formed MgC60+ complexes Thompson RI, Welling M, Schuessler HA, Walther H
10212 - 10220	Molecules in high spin states: The millimeter and submillimeter spectrum of the MnS radical (X (6)Sigma(+)) Thompsen JM, Brewster MA, Ziurys LM
10221 - 10228	Carbon 1s photoelectron spectroscopy of CF4 and CO: Search for chemical effects on the carbon 1s hole-state lifetime Carroll TX, Borve KJ, Saethre LJ, Bozek JD, Kukk E, Hahne JA, Thomas TD
10229 - 10237	Fragmentation path for hydrogen atom dissociation from methoxy radical Petraco NDK, Allen WD, Schaefer HF
10238 - 10246	Electronic structure and spectroscopic properties of electronic states of ScC3 and ScC3- Roszak S, Majumdar D, Balasubramanian K
10247 - 10252	Cobalt-benzene cluster anions: Mass spectrometry and negative ion photoelectron spectroscopy Gerhards M, Thomas OC, Nilles JM, Zheng WJ, Bowen KH
10253 - 10266	Experimental and theoretical study of benzene (acetonitrile)(n) clusters, n=1-4 El-Shall MS, Daly GM, Wright D
10267 - 10276	Double-resonance overtone photofragment spectroscopy of trans-HONO. II. State- and time-resolved dissociation and OH-product state distributions Reiche F, Abel B, Beck RD, Rizzo TR
10277 - 10286	Binding to gold(0): Accurate computational methods with application to AuNH3 Lambropoulos NA, Reimers JR, Hush NS
10287 - 10296	Spectroscopic properties of lead hexamer and its ions (Pb-6, Pb-6(+), Pb-6(-)) Zhao CY, Balasubramanian K
10297 - 10306	Quasisaddles as relevant points of the potential energy surface in the dynamics of supercooled liquids Angelani L, Di Leonardo R, Ruocco G, Scala A, Sciortino F
10307 - 10317	HFCN open-shell isomers in solid argon. I. Spectroscopy of the ground and excited states of HFC = N radical Misochko EY, Akimov AV, Goldschleger IU, Wight CA
10318 - 10324	HFCN open-shell isomers in solid argon. II. Excited-state tunneling isomerization HFC = N-center dot -> FC center dot = NH Misochko EY, Akimov AV, Goldschleger IU, Wight CA
10325 - 10337	Signal interferences from turbulent spin dynamics in solution nuclear magnetic resonance spectroscopy Huang SY, Lin YY, Lisitza N, Warren WS
10338 - 10342	Rotational tunneling of NH4 and NH3D and dipolar interaction in (NH3.6D0.4)(2)PtCl6 Prager M, Schiebel P, Grimm H
10343 - 10355	The dynamics of ND4+ and NH3D+ groups in ammonium persulphate studied by deuteron nuclear magnetic resonance. I. Tunneling and stochastic reorientations at low temperatures Olejniczak Z, Lalowicz ZT, Schmidt T, Zimmermann H, Haeberlen U, Schmitt H
10356 - 10360	Computer modeling of disordered molecular solids: Six-state model of glassy crystal cyanoadamantane Fabianski R, Firlej L, Kuchta B
10361 - 10371	Vibrational spectra of halobenzene cations in the ground and (B)over-tilde B-2(2) electronic states obtained by one-photon mass-analyzed threshold ionization spectrometry Kwon CH, Kim HL, Kim MS
10372 - 10376	Car-Parrinello molecular dynamics simulation of liquid water: New results Izvekov S, Voth GA
10377 - 10385	Dielectric relaxation and underlying dynamics of acetonitrile and 1-ethyl-3-methylimidazolium triflate mixtures using THz transmission spectroscopy Asaki MLT, Redondo A, Zawodzinski TA, Taylor AJ
10386 - 10401	Relaxation dynamics in plastic crystals Brand R, Lunkenheimer P, Loidl A
10402 - 10410	CF3I on a silicon surface: Adsorption, temperature-programmed desorption, and electron-stimulated desorption Sanabia JE, Moore JH, Tossell JA
10411 - 10418	Structural sensing using fluorescence nanotomography Rolinski OJ, Birch DJS
10419 - 10427	Efficiency of the pi conjugation in a novel family of alpha,alpha'-bisphenyl end-capped oligothiophenes by means of Raman spectroscopy Castro CM, Delgado MCR, Hernandez V, Hotta S, Casado J, Navarrete JTL
10428 - 10434	Ultraviolet-visible and infrared spectroscopic study of Langmuir-Blogett films of a charge transfer complex based on 2-dodecyl-7,7,8,8-tetracyanoquinodimethane and copper Majumder TP, Ikegami K
10435 - 10446	Bimetallic Ag-Au nanoparticles: Extracting meaningful optical constants from the surface-plasmon extinction spectrum Moskovits M, Srnova-Sloufova I, Vlckova B
10447 - 10457	Charge transfer in hyperthermal surface collisions of C-60(0) and C-60(-): Experiment and model calculations Bekkerman A, Tsipinyuk B, Kolodney E
10458 - 10461	Tuning surface morphologies of ion-assisted diamondlike carbon film on the nanometer scale Zhu XD, Naramoto H, Xu Y, Narumi K, Miyashita K
10462 - 10474	Crystal structures of polymerized fullerides AC(60), A=K, Rb, Cs, and alkali-mediated interactions Verberck B, Michel KH, Nikolaev AV
10475 - 10477	Liquid-state theory derivation of surface accessible solvation potential models for proteins Freed KF
10478 - 10484	Molecular theory of hydrophobic mismatch between lipids and peptides Duque D, Li XJ, Katsov K, Schick M
10485 - 10491	A three-dimensional polymer growth model Vogt M, Hernandez R
10492 - 10502	Residual dipolar coupling for the assessment of cross-link density changes in gamma-irradiated silica-PDMS composite materials Maxwell RS, Balazs B
10503 - 10507	Spectroscopic investigation of the different long-lived photoexcitations in a polythiophene Rothe C, Hintschich S, Monkman AP, Svensson M, Anderson MR
10508 - 10513	Self-assembly of star block copolymers by dynamic density functional theory He XH, Huang L, Liang HJ, Pan CY
10514 - 10522	Self-consistent effective interactions in charged colloidal suspensions Anta JA, Lago S
10523 - 10528	The mobility and diffusivity of a knotted polymer: Topological deformation effect Sheng YJ, Tsao HK
10529 - 10535	Measurement of the full shear-induced self-diffusion tensor of noncolloidal suspensions Breedveld V, van den Ende D, Bosscher M, Jongschaap RJJ, Mellema J
10536 - 10546	Determination of temperature dependent structure evolution by fast-Fourier transform at late stage spinodal decomposition in bicontinuous biopolymer mixtures Loren N, Langton M, Hermansson AM
10547 - 10556	Density profiles and surface tension of polymers near colloidal surfaces Louis AA, Bolhuis PG, Meijer EJ, Hansen JP
10557 - 10557	An accurate MGGA-based hybrid exchange-correlation functional (vol 116, pg 2335, 2002) Tao JM
10557 - 10557	All optical triple resonance spectroscopy of the A(1)Sigma(+)(u) state of Li-7(2) (vol 104, pg 2813, 1996) Urbanski K, Antonova S, Yiannopoulou A, Lyyra AM, Li L, Stwalley WC