Journal of Chemical Physics

Journal of Chemical Physics, Vol.115, No.18 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (53 articles)

8263 - 8266	Coupled-cluster theory for excited electronic states: The full equation-of-motion coupled-cluster single, double, and triple excitation method Kucharski SA, Wloch M, Musial M, Bartlett RJ
8267 - 8273	A new implementation of four-component relativistic density functional method for heavy-atom polyatomic systems Yanai T, Iikura H, Nakajima T, Ishikawa Y, Hirao K
8274 - 8278	Inter-basin dynamics on multidimensional potential surfaces. I. Escape rates on complex basin surfaces Despa F, Berry RS
8279 - 8284	Non-Hermitian perturbative effective operators: Connectivity and derivation of diagrammatic representation Duan CK, Reid MF
8285 - 8297	Asymptotic analysis of state-to-state tetraatomic reactions using row-orthonormal hyperspherical coordinates Museth K, Kuppermann A
8298 - 8304	Rules of pair electron correlation in MF(M=H, Li, Na) Zhuo SP, Wei JC, Ju GZ
8305 - 8311	Linear scaling and the 1,2-contracted Schrodinger equation Mazziotti DA
8312 - 8326	New splitting formulations for lattice summations Batcho PF, Schlick T
8327 - 8330	Characterization of patterns, oscillations, and chaos in chemical systems Yoshida N
8331 - 8344	Dispersion fitted finite difference method with applications to molecular quantum mechanics Gray SK, Goldfield EM
8345 - 8350	Ab initio prediction of the vibrational-rotational energy levels of hydrogen peroxide and its isotopomers Koput J, Carter S, Handy NC
8351 - 8358	Theoretical study of photochromism of N-salicylidene-alpha-methylbenzylamine Zgierski MZ
8359 - 8365	Photofragment translational spectroscopy of 1,2-butadiene at 193 nm Robinson JC, Sun WZ, Harris SA, Qi F, Neumark DM
8366 - 8372	Rovibrational analysis of molecular collisions using coherent states Blass A, Deumens E, Ohrn Y
8373 - 8380	An excess electron bound to urea. I. Canonical and zwitterionic tautomers Skurski P, Simons J
8381 - 8383	Complete active space self-consistent field and multireference configuration interaction studies of the low-lying excited states of the ClO-H2O radical complex Li YM, Francisco JS
8384 - 8392	The vibrational and rotational dynamics of acetylene solvated in superfluid helium nanodroplets Nauta K, Miller RE
8393 - 8402	State-resolved rotationally inelastic collisions of highly rotationally excited CN(A (2)Pi) with helium: Influence of the interaction potential Nizamov B, Dagdigian PJ, Alexander MH
8403 - 8410	Stability of angular confinement and rotational acceleration of a diatomic molecule in an optical centrifuge Spanner M, Davitt KM, Ivanov MY
8411 - 8417	Energy disposal in CN(X (2)Sigma(+)) produced in the 157 nm photodissociation of acrylonitrile Guo JZ, Carrington T, Filseth SV
8418 - 8430	Matrix isolation study of the interaction of excited neon atoms with allene and propyne: Infrared spectra of H2CCCH2+ and H2CCCH- Forney D, Jacox ME, Lugez CL, Thompson WE
8431 - 8439	The helium-, neon-, and argon-cyclopropane van der Waals complexes: Ab initio ground state intermolecular potential energy surfaces and intermolecular dynamics Pedersen TB, Fernandez B, Koch H, Makarewicz J
8440 - 8454	Vibrational polarization beats in femtosecond coherent anti-Stokes Raman spectroscopy: A signature of dissociative pump-dump-pump wave packet dynamics Faeder J, Pinkas I, Knopp G, Prior Y, Tannor DJ
8455 - 8459	Time-dependent wave packet calculation for state-to-state reaction of Cl+H-2 using the reactant-product decoupling approach Zhang YC, Zhang JF, Zhang HY, Zhang QG, Zhang JZH
8460 - 8480	Variational transition state theory evaluation of the rate constant for proton transfer in a polar solvent McRae RP, Schenter GK, Garrett BC, Svetlicic Z, Truhlar DG
8481 - 8488	Nonequilibrium partition function in the presence of heat flow Al-Ghoul M, Eu BC
8489 - 8505	The impact of molecular shape and polarity on chiral discrimination Paci I, Cann NM
8506 - 8517	Broadband composite spin-state-selective rotations for NMR spectroscopy on partially aligned molecules Schulte-Herbruggen T, Untidt TS, Nielsen NC, Sorensen OW
8518 - 8524	Monte Carlo simulation of homogeneous binary vapor-liquid nucleation: Mutual enhancement of nucleation in a partially miscible system Yoo S, Oh KJ, Zeng XC
8525 - 8530	Nanoscopic inhomogeneities induced by spinodal decomposition and irreversible chemical growth reactions Schulz M, Reineker P
8531 - 8539	Isotropic Raman line shapes of N-2 and O-2 along their liquid-gas coexistence lines Everitt KF, Skinner JL
8540 - 8546	Molecular dynamics simulations of solvent reorganization in electron-transfer reactions Hartnig C, Koper MTM
8547 - 8551	Collision-induced hyper-Rayleigh spectrum of octahedral molecules: The case of SF6 Bancewicz T, Godet JL, Maroulis G
8552 - 8556	Photochemistry of O-2 on atomically stepped Pt surfaces: Enhanced O-2 photodepletion at step sites Tripa CE, Yates JT
8557 - 8562	On entropies of metal-hydrogen systems Manchester FD
8563 - 8569	Covalent attachment of acetonitrile on Si(100) through Si-C and Si-N linkages Tao F, Wang ZH, Qiao MH, Liu Q, Sim WS, Xu GQ
8570 - 8574	Hydrogenation of S to H2S on Pt(111): A first-principles study Michaelides A, Hu P
8575 - 8582	Wetting transitions at the air-liquid interface of water plus tetradecane+C6E2 mixtures Yeh MC, Chen LJ
8583 - 8591	Dynamical coexistence of phases in molecular clusters Proykova A, Pisov S, Berry RS
8592 - 8602	Vibronic interactions and superconductivity in acene anions and cations Kato T, Yamabe T
8603 - 8611	Molecular dynamics simulations of the liquid-vapor interface of a molten salt. I. Influence of the interaction potential Aguado A, Wilson M, Madden PA
8612 - 8619	Molecular dynamics simulations of the liquid-vapor interface of a molten salt. II. Finite size effects and comparison to experiment Aguado A, Scott W, Madden PA
8620 - 8633	A replica reference interaction site model theory for a polar molecular liquid sorbed in a disordered microporous material with polar chemical groups Kovalenko A, Hirata F
8634 - 8642	Molecular dynamics simulation of gaseous-liquid phase transitions of soluble and insoluble surfactants at a fluid interface Tomassone MS, Couzis A, Maldarelli CM, Banavar JR, Koplik J
8643 - 8654	Self-sputtering of silver by mono- and polyatomic projectiles: A molecular dynamics investigation Lindenblatt M, Heinrich R, Wucher A, Garrison BJ
8655 - 8664	Phase diagram of dilute lattice surfactant solution Shida CS, Henriques VB
8665 - 8669	Free volume study of amorphous polymers detected by solid-state C-13 NMR linewidth experiments Asano A, Takegoshi K
8670 - 8674	First-principles molecular dynamics study of a polymer under tensile stress Rohrig UF, Frank I
8675 - 8680	Molecular dynamics simulation of polymer ordering. II. Crystallization from the melt Yamamoto T
8681 - 8691	Dielectric relaxation in liquid crystalline dimers Dunmur DA, Luckhurst GR, de la Fuente MR, Diez S, Jubindo MAP
8692 - 8704	Theory of thermotropic polymer liquid crystals Brostow W, Walasek J
8705 - 8713	Structural transformations in confined lamellar phases in oil-water-surfactant mixtures Tasinkevych M, Ciach A
8714 - 8714	Ab initio structures and polarizabilities of sodium clusters (vol 115, pg 4322, 2001) Kronik L, Vasiliev I, Jain M, Chelikowsky JR