Journal of Chemical Physics

Journal of Chemical Physics, Vol.117, No.9 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (55 articles)

4087 - 4094	The use of distributed partial wave basis for accurate atom-molecule statistical distributions Furuhama A, Ten-no S
4095 - 4105	Self-consistent solution of Dyson's equation up to second order for open-shell atomic systems Peirs K, Van Neck D, Waroquier M
4106 - 4118	Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations Webb SP, Iordanov T, Hammes-Schiffer S
4119 - 4125	Application of the local self-consistent-field method to core-ionized and core-excited molecules, polymers, and proteins: True orthogonality between ground and excited states Ferre N, Assfeld X
4126 - 4132	Partial optimization of molecular geometry in normal coordinates and use as a tool for simulation of vibrational spectra Bour P, Keiderling TA
4133 - 4145	Explication and revision of generalized Van Vleck perturbation theory for molecular electronic structure Khait YG, Song J, Hoffmann MR
4146 - 4156	Time-dependent density-functional theory investigation of the formation of the charge transfer excited state for a series of aromatic donor-acceptor systems. Part I Jodicke CJ, Luthi HP
4157 - 4167	Time-dependent density-functional theory investigation of the formation of the charge transfer excited state for a series of aromatic donor-acceptor systems. Part II Jodicke CJ, Luthi HP
4168 - 4177	Analyzing intramolecular vibrational energy redistribution via the overlap intensity-level velocity correlator Keshavamurthy S, Cerruti NR, Tomsovic S
4178 - 4183	Solution to Michaelis-Menten enzyme kinetic equation via undetermined gauge functions: Resolving the nonlinearity of Lineweaver-Burk plot Murugan R
4184 - 4200	Constant-pH molecular dynamics using stochastic titration Baptista AM, Teixeira VH, Soares CM
4201 - 4213	Classical trajectory and statistical adiabatic channel study of the dynamics of capture and unimolecular bond fission. VI. Properties of transitional modes and specific rate constants k(E,J) Maergoiz AI, Nikitin EE, Troe J, Ushakov VG
4214 - 4219	Competing dissociation channels in the photolysis of S2Cl2 at 235 nm Einfeld TS, Maul C, Gericke KH, Chichinin A
4220 - 4232	Frontside versus backside reactivity in electron transfer to oriented tert butyl bromide and methyl bromide Brooks PR, Harris SA
4233 - 4244	Ab initio study of the A (2)Pi-X (2)Pi electronic transition in HCCS Peric M, Stevanovic L, Jerosimic S
4245 - 4254	Experimental and ab initio investigation of the O-H overtone vibration in ethanol Weibel JD, Jackels CF, Swofford RL
4255 - 4263	State-to-state photodissociation of OCS (nu(2)=0,1 vertical bar JlM). I. The angular recoil distribution of CO (X (1)Sigma(+);v=0 vertical bar J) van den Brom AJ, Rakitzis TP, van Heyst J, Kitsopoulos TN, Jezowski SR, Janssen MHM
4264 - 4281	Assignment of the first five electronic states of Ar-2(+) from the rotational fine structure of pulsed-field-ionization zero-kinetic-energy photoelectron spectra Rupper P, Merkt F
4282 - 4292	Vibrational relaxation in clusters: Energy transfer in I-2(-)(CO2)(4) excited by femtosecond stimulated emission pumping Davis AV, Wester R, Bragg AE, Neumark DM
4293 - 4298	Quantitative spectral analysis of HCl and DCl in 120-220 nm: Effects of singlet-triplet mixing Cheng BM, Chung CY, Bahou M, Lee YP, Lee LC
4299 - 4305	Charge transfer reactions between chiral Rydberg atoms and chiral molecules Hammer NI, Gao F, Pagni RM, Compton RN
4306 - 4316	Experimental and theoretical studies on Rydberg states of CH2CO in the region 120-220 nm Chiang SY, Bahou M, Wu YJ, Lee YP
4317 - 4322	Fragmentation of small tin cluster ions (Sn-x(+): x=4-20) in the low-energy collisions with a highly oriented pyrolytic graphite surface Tai Y, Murakami J, Majumder C, Kumar V, Mizuseki H, Kawazoe Y
4323 - 4339	Photoelectron spectroscopy of HCCN- and HCNC- reveals the quasilinear triplet carbenes, HCCN and HCNC Nimlos MR, Davico G, Geise CM, Wenthold PG, Lineberger WC, Blanksby SJ, Hadad CM, Petersson GA, Ellison GB
4340 - 4347	A physical explanation of the ground state crossover in the H circle times h Jahn-Teller effect Polinger VZ, Huang RW, Dunn JL, Bates CA
4348 - 4360	Total cross sections and molecular frame photoelectron angular distributions in the N 1s photoionization of N-2: An investigation of electron correlation effects Lin P, Lucchese RR
4361 - 4370	Theoretical study of the photoelectron spectrum of NO3 and the excited states of NO3+. I. Electronic spectrum Eisfeld W, Morokuma K
4371 - 4375	Metastable dissociation of the zirconium Met-Car, Zr8C12, and connections to the production of the delayed atomic ion Stairs JR, Davis KM, Castleman AW
4376 - 4385	Three-dimensional simulations of reversible bimolecular reactions. II. The excited-state target problem with different lifetimes Popov AV, Agmon N
4386 - 4398	Theory of the thermal conductivity of molecular liquids: Nitrogen and carbon dioxide Rah K, Eu BC
4399 - 4402	Orientation-dependent density fingering in an acidity front Horvath D, Bansagi T, Toth A
4403 - 4413	Ab initio molecular dynamics study of proton mobility in liquid methanol Morrone JA, Tuckerman ME
4414 - 4418	Dynamics of glass-forming liquids. VI. Dielectric relaxation study of neat decahydro-naphthalene Duvvuri K, Richert R
4419 - 4427	Pressure studies of the photodimerization of oriented anthracene pairs in a dianthracene crystal: Fast tunneling of a heavy particle Chan IY, Ismail H, Prass B, Stehlik D
4428 - 4435	Photophysical studies of mixed furan, pyrrole, and thiophene-containing oligomers with three and five rings de Melo JS, Elisei F, Becker RS
4436 - 4447	Vibrational emissions of (CO2)-C-13 trapped in rare gas matrices: Kinetic model for the intramolecular relaxation Chabbi H, Gauthier-Roy B, Vasserot AM, Abouaf-Marguin L
4448 - 4461	Thermalization range distributions for photoelectrons injected into dielectric liquids Guelfucci JP, Terrissol M, Baird JK
4462 - 4472	Thermodynamic and structural properties of a sticky hard-sphere heteronuclear dimer fluid Wu N, Feng SS, Chiew YC
4473 - 4478	Modeling triangular titration fronts in the O-2+H-2 reaction on a catalytic Rh(111) surface Monine M, Pismen L, Bar M, Or-Guil M
4479 - 4488	Ion desorption induced by core-level excitation of H2O/Si(100): Evidence of desorption due to the multielectron excitation/decay Tanaka S, Mase K, Nagaoka S, Nagasono M, Kamada M
4489 - 4498	Theory of electron stimulated desorption and dissociation of CO at transition metals Corriol C, Darling GR, Holloway S, Brenig W, Andrianov I, Klamroth T, Saalfrank P
4499 - 4508	Monte Carlo wave packet study of negative ion mediated vibrationally inelastic scattering of NO from the metal surface Li SM, Guo H
4509 - 4516	Structure of the (001) surface of gamma alumina Vijay A, Mills G, Metiu H
4517 - 4525	Exciton interactions in oligophenyl nanoaggregates and single crystals Blumstengel S, Meinardi F, Spearman P, Borghesi A, Tubino R, Chirico G
4526 - 4531	Phase diagrams of heteronuclear dimers adsorbed on a square lattice Rzysko W, Borowko M
4532 - 4541	Vibrational relaxation at water surfaces Vieceli J, Chorny I, Benjamin I
4542 - 4549	Influence of cluster shape upon its growth in a two-dimensional Ising model Berim GO, Ruckenstein E
4550 - 4556	Evaluation of the viscoelastic properties of a nematic dimer by cone-and-plate rheo-nuclear magnetic resonance spectroscopy and comparison with Leslie-Ericksen theory Lukaschek M, Kothe G, Schmidt C, Gomes AE, Polimeno A
4557 - 4563	Turbidity measurements and amplitude scaling of critical solutions of polystyrene in methylcyclohexane Zhou CS, An XQ, Xia KQ, Yin XL, Shen WG
4564 - 4577	Gaussian ellipsoid model for confined polymer systems Eurich F, Maass P, Baschnagel J
4578 - 4584	A partially incoherent rate theory of long-range charge transfer in deoxyribose nucleic acid Zhang HY, Li XQ, Han P, Yu XY, Yan YJ
4585 - 4590	Dynamics of aroclor and its modification by dissolved polystyrene Casalini R, Santangelo PG, Roland CM
4591 - 4593	Rate of intramolecular contact formation in peptides: The loop length dependence Wang ZS, Makarov DE
4594 - 4601	Solvent effects on conformational dynamics of proteins: Cytochrome c in a dried trehalose film Ponkratov VV, Friedrich J, Vanderkooi JM
4602 - 4615	Statistical mechanical refinement of protein structure prediction schemes: Cumulant expansion approach Eastwood MP, Hardin C, Luthey-Schulten Z, Wolynes PG