Journal of Chemical Physics

Journal of Chemical Physics, Vol.107, No.13 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (56 articles)

4771 - 4782	Optical-optical double-resonance spectroscopic study of four ion-pair states of CIF and identification of the CIF(A(3)Pi(1)) valence state Alekseev VA, Setser DW
4783 - 4787	Photoelectron spectroscopy of C-n(-) produced from laser ablated dehydroannulene derivatives having carbon ring size of n=12, 16, 18, 20, and 24 Wakabayashi T, Kohno M, Achiba Y, Shiromaru H, Momose T, Shida T, Naemura K, Tobe Y
4788 - 4796	High resolution spectroscopy of Ne and Ar containing noble gas clusters Xu YJ, Jager WG
4797 - 4807	The effect of high pressure on the dynamics of doped organic glasses: A study by spectral hole-burning Creemers TMH, Koedijk JMA, Chan IY, Silbey RJ, Volker S
4808 - 4816	The reliability of the determination of tensor parameters by solid-state nuclear magnetic resonance Hodgkinson P, Emsley L
4817 - 4826	Vibronic analyses of the mass-resolved NeXe spectra near Xe-*(6p) Mao DM, Hu XK, Bascal HA, Dimov SS, Lipson RH
4827 - 4843	Theoretical analysis of the vibronic structure of the zero-kinetic-energy photoelectron spectra from single vibronic levels of the S-1-state manifold of naphthalene Negri F, Zgierski MZ
4844 - 4851	Many-body components in the integrated far-infrared absorption coefficient of diatomic molecules in spherical solvents Roso JMM, Hernandez AC, Velasco S, Medina A
4852 - 4863	Emission spectra of NeRg(2)(+)(Rg=Ar,Kr,Xe), ArRg(2)(+)(Rg=Kr,Xe), and KrXe2+ heterotrimer ions produced in rare gas flowing afterglows at high stagnation pressures Tsuji M, Tanaka M, Nishimura Y
4864 - 4874	High resolution Raman spectroscopy from vibrationally excited states populated by a stimulated Raman process: 2 nu(1)-nu(1) of (CH4)-C-12 Martinez RZ, Bermejo D, Santos J, Champion JP, Hilico JC
4875 - 4880	High resolution threshold photoelectron spectrum of oxygen in the 12-19 eV region Akahori T, Morioka Y, Tanaka T, Yoshii H, Hayaishi T, Ito K
4881 - 4885	Roles of central and terminal carbon atoms in infrared and Raman intensities of polyenes: Analysis of atomic polar and polarizability tensors Lee JY, Mhin BJ, Kim KS
4886 - 4892	Electron-phonon interactions in CsCdBr3:Yb3+ Hehlen MP, Kuditcher A, Rand SC, Tischler MA
4893 - 4905	Extracting signatures of quantum chaos from the time resolved fluorescence of isolated molecules Wilkie J, Brumer P
4906 - 4910	Collision-induced first overtone band of H-2 in H-2-Kr and H-2-Xe mixtures Prasad RDG, Gillard PG, Reddy SP
4911 - 4918	Mass resolved photoionization/fragmentation studies of Cr(CO)(6) at photon energies of similar to 8-40 eV Qi F, Yang X, Yang SH, Gao H, Sheng LS, Zhang YW, Yu SQ
4919 - 4926	Renner-teller splitting in the C1s->pi(*) excited states of CS2, OCS, and CO2 Adachi J, Kosugi N, Shigemasa E, Yagishita A
4927 - 4933	Dynamics of charge carrier precursor photogeneration in titanyl phthalocyanine Gulbinas V, Jakubenas R, Pakalnis S, Undzenas A
4934 - 4942	Quantum state-resolved dynamics study for the reaction O(D-1)+H-2->OH+H(J=0) Dai JQ
4943 - 4950	Low-frequency-dependent effects of oscillating magnetic fields on radical pair recombination in enzyme kinetics Eichwald C, Walleczek J
4951 - 4959	Ab initio study of nonadiabatic interactions in the photodissociation of ketene Cui Q, Morokuma K
4960 - 4967	Dipole-dipole interaction and anisotropy effects in the itinerant oscillator model Coffey WT
4968 - 4978	Molecular dynamics simulations of free energy and conformational transition rates of calix[4]arene in chloroform denOtter WK, Briels WJ
4979 - 4984	H(n=4)/D(n=4) branching ratio in the electron-impact dissociation of HOD Furuya K, Koba F, Ogawa T
4985 - 4993	The ultrafast ground and excited state dynamics of cis-hexatriene in cyclohexane Pullen SH, Anderson NA, Walker LA, Sension RJ
4994 - 4999	Electronic structure aspects of the spin-forbidden reaction CH3(X(2)A(2)(''))+N(S-4)->HCN(X-1 Sigma(+))+H-2(X-1 Sigma(+)(g)) Sadygov RG, Yarkony DR
5000 - 5006	The MaxFlux algorithm for calculating variationally optimized reaction paths for conformational transitions in many body systems at finite temperature Huo SH, Straub JE
5007 - 5015	Exchange and correlation energy in density functional theory: Comparison of accurate density functional theory quantities with traditional Hartree-Fock based ones and generalized gradient approximations for the molecules Li-2, N-2, F-2 Gritsenko OV, Schipper PRT, Baerends EJ
5016 - 5021	Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca Blaudeau JP, McGrath MP, Curtiss LA, Radom L
5022 - 5031	Intramolecular excitations in the H2O center dot center dot CO complex studied by diffusion Monte Carlo and ab initio calculations Sandler P, Sadlej J, Feldmann T, Buch V
5032 - 5050	Analytical one-particle approach to the pi electronic structure of heterocyclic polymers Onipko A, Klymenko Y, Malysheva L
5051 - 5057	Ab initio geometry, quartic force field, and vibrational frequencies for P-4 Persson BJ, Taylor PR, Lee TJ
5058 - 5071	Many-body perturbation theory for quasiparticle energies Sun JQ, Bartlett RJ
5072 - 5075	Ab initio scaling of the second hyperpolarizabilities of carbon sages Fanti M, Fowler PW, Orlandi G, Zerbetto F
5076 - 5087	Ab initio static polarizability and first hyperpolarizability of model polymethineimine chains .2. Effects of conformation and of substitution by donor/acceptor end groups Jacquemin D, Champagne B, Kirtman B
5088 - 5093	A small optimal complete active space (CAS) for multiconfigurational spin tensor electron propagator method (MCSTEP) ionization potentials: Application to methane, acetylene, ethylene, and ethane Heryadi D, Jones CT, Yeager DL
5094 - 5102	Spectroscopic constants and potential energy functions of OCCl+, ONP, ONS+, ArCN+, OCS, and NCCl using the coupled cluster method Pak Y, Woods RC
5103 - 5107	Excess heat capacities due to the low-energy excitations of molecular glasses: An approach using the soft potential model Lindqvist A, Yamamuro O, Tsukushi I, Matsuo T
5108 - 5117	Path integral grand canonical Monte Carlo Wang QY, Johnson JK, Broughton JQ
5118 - 5124	Thermodynamics of the coil to frozen globule transition in heteropolymers Pande VS, Grosberg AY, Tanaka T
5125 - 5140	Surface tension and phase coexistence properties of the lattice fluid from a virtual site removal Monte Carlo strategy Provata A, Prassas VD, Theodorou DN
5141 - 5153	Classical-quantum correspondence in the Redfield equation and its solutions Kohen D, Tannor DJ
5154 - 5170	Electron transfer via bridges Bixon M, Jortner J
5171 - 5178	Lyapunov exponent and the solid-fluid phase transition Kwon KH, Park BY
5179 - 5185	Phase transition in strongly stretched polymer gels Suzuki A, Sanda K, Omori Y
5186 - 5196	Quasielastic neutron scattering and molecular dynamics simulation studies of the melting transition in butane and hexane monolayers adsorbed on graphite Herwig KW, Wu Z, Dai P, Taub H, Hansen FY
5197 - 5204	Equation of state of alkanes .2. Toxvaerd S
5205 - 5211	Spatiotemporal behavior of convective Turing patterns in porous media Marlow M, Sasaki Y, Vasquez DA
5212 - 5216	Monte Carlo studies of effects of substrate size on water-substrate interaction energy and wafer structure Fang JX, Marlow WH, Lu JX, Lucchese RR
5217 - 5226	Phase separation kinetics in a binary mixture of polyethylene glycol and polypropylene glycol studied by light scattering after a pressure jump: Pinning of domain growth by hydrogen bond structures Steinhoff B, Rullmann M, Kuhne L, Alig I
5227 - 5235	Effect of degree of cross-linking on spatial inhomogeneity in charged gels .1. Theoretical predictions and light scattering study Shibayama M, Ikkai F, Shiwa Y, Rabin Y
5236 - 5253	Phase space approach to theories of quantum dissipation Kohen D, Marston CC, Tannor DJ
5254 - 5267	Thermal conductivity of dilute solutions of chainlike polymers Curtiss CF, Bird RB
5268 - 5272	Correlations between boson peak strength and characteristics of local segmental relaxation in polymers Ngai KL, Sokolov A, Steffen W
5273 - 5274	Ionization energy of HSSH Cheng BM, Eberhard J, Chen WC, Yu CH
5275 - 5275	Mass-resolved two-photon spectra of Xe-2 in the region of Xe*(5d) .2. Dominant ion-core assignments by dispersive photoelectron spectroscopy (vol 106, pg 9419, 1997) Hu XK, Mao DM, Dimov SS, Lipson RH