Journal of Chemical Physics

Journal of Chemical Physics, Vol.113, No.24 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (62 articles)

10835 - 10836	The nuclear spin-spin coupling constant in He-2 Pecul M
10837 - 10840	Electronic instability of isolated SO42- and its solvation stabilization Wang XB, Nicholas JB, Wang LS
10841 - 10848	Incorporating physical implementation concerns into closed loop quantum control experiments Geremia JM, Zhu WS, Rabitz H
10849 - 10860	Spectral decomposition and Bloch equation of the operators represented by fixed-centroid path integrals Lopez-Ciudad T, Ramirez R
10861 - 10866	Some relationships within the nonlocal (pair-site) chemical reactivity formalism of density functional theory Chamorro E, Contreras R, Fuentealba P
10867 - 10877	Extended kinetic models with waiting-time distributions: Exact results Kolomeisky AB, Fisher ME
10878 - 10885	Quantum codes for controlling coherent evolution Sharf Y, Havel TF, Cory DG
10886 - 10898	Atoms in molecules, an axiomatic approach. I. Maximum transferability Ayers PW
10899 - 10912	A mobile charge densities in harmonic oscillators (MCDHO) molecular model for numerical simulations: The water-water interaction Saint-Martin H, Hernandez-Cobos J, Bernal-Uruchurtu MI, Ortega-Blake I, Berendsen HJC
10913 - 10927	Efficient particle-mesh Ewald based approach to fixed and induced dipolar interactions Toukmaji A, Sagui C, Board J, Darden T
10928 - 10933	The electronic structure and electron affinities of higher chlorine oxide radicals ClOx (x=2-4) from photoelectron spectroscopy of ClOx- anions Wang XB, Wang LS
10934 - 10946	Transient resonance Raman spectroscopy and density functional theory investigation of iso-polyhalomethanes containing bromine and/or iodine atoms Zheng XM, Fang WH, Phillips DL
10947 - 10951	Vibration-rotation transfer in molecular super rotors McCaffery AJ
10952 - 10961	The (A)over-tilde <-(X)over-tilde(1+1)REMPI spectrum and high-level ab initio calculations of the complex between NO and N-2 Lozeille J, Daire SE, Gamblin SD, Wright TG, Lee EPF
10962 - 10972	Cluster photofragmentation dynamics: Quasiclassical trajectory studies of Ar-n-H2S and Ar-n-SH (n=1,2) Fair JR, Nesbitt DJ
10973 - 10977	Dipole bound and valence state coupling in argon-solvated nitromethane anions Lecomte F, Carles S, Desfrancois C, Johnson MA
10978 - 10982	Thermodynamic study of the gaseous molecules Al2N, AlN, and Al2N2 by Knudsen cell mass spectrometry Meloni G, Gingerich KA
10983 - 10998	Ab initio and quasiclassical trajectory study of the N(D-2) plus NO(X (2)Pi)-> O(D-1)+N-2(X (1)Sigma(+)(g)) reaction on the lowest (1)A(') potential energy surface Gonzalez M, Valero R, Sayos R
10999 - 11008	Severely perturbed vibrational structure in the 266-310 nm electronic transition of C-3 Izuha M, Yamanouchi K
11009 - 11018	Vibrational wave packets in the B (1)Pi(u) and D (1)Sigma(+)(u) states of Cs-2: Determination of improved Cs-2(+)(X) and Cs-2(B) spectroscopic constants Oldenburg AL, John PC, Eden JG
11019 - 11034	Statistical rate theory for the HO+O double left right arrow HO2 double left right arrow H+O-2 reaction system: SACM/CT calculations between 0 and 5000 K Harding LB, Maergoiz AI, Troe J, Ushakov VG
11035 - 11043	Effect of pressure and temperature on the competition between nondissociative and dissociative electron attachment to POCl3 Williamson DH, Mayhew CA, Knighton WB, Grimsrud EP
11044 - 11054	Ab initio/spectroscopic interaction potential for He+Ne+ Falcetta MF, Dorko MJ, Siska PE
11055 - 11062	Time-dependent quantum mechanical calculations on H+O-2 for total angular momentum J > 0. III. Total cross sections Goldfield EM, Meijer AJHM
11063 - 11070	Negative ion formation from low energy (0-15 eV) electron impact to CF2Cl2 under different phase conditions Langer J, Matt S, Meinke M, Tegeder P, Stamatovic A, Illenberger E
11071 - 11078	Testing van der Waals interactions with quantum dynamics: Repulsive anisotropy and well depth in the LiH plus He system Bodo E, Gianturco FA, Martinazzo R, Paesani F, Raimondi M
11079 - 11083	Charge transfer between ND3+(nu(+)(2)) and phenol Kim HT, Green RJ, Anderson SL
11084 - 11100	An investigation of the F+H-2 reaction based on a full ab initio description of the open-shell character of the F(P-2) atom Alexander MH, Manolopoulos DE, Werner HJ
11101 - 11108	Quantum-classical calculation of cross sections and rate constants for the H-2+CN -> HCN+H reaction Coletti C, Billing GD
11109 - 11126	9,9 '-Bianthryl and its van der Waals complexes studied by rotational coherence spectroscopy: Structure and excited state dynamics Fujiwara T, Fujimura Y, Kajimoto O
11127 - 11133	A density-functional study of small titanium clusters Wei SH, Zeng Z, You JQ, Yan XH, Gong XG
11134 - 11142	Selective preparation of enantiomers by laser pulses: From optimal control to specific pump and dump transitions Gonzalez L, Hoki K, Kroner D, Leal AS, Manz J, Ohtsuki Y
11143 - 11153	The infrared spectroscopy of hydrogen-bonded bridges: 2-pyridone-(water)(n) and 2-hydroxypyridine-(water)(n) clusters, n=1,2 Florio GM, Gruenloh CJ, Quimpo RC, Zwier TS
11154 - 11158	Rotational dynamics of nondipolar probes in alkane-alkanol mixtures: Microscopic friction on hydrogen bonding and nonhydrogen bonding solute molecules Dutt GB
11159 - 11175	Controlling electron transfer in strong time-dependent fields: Theory beyond the Golden Rule approximation Hartmann L, Goychuk I, Hanggi P
11176 - 11186	Relaxation in charge-transfer systems with very large tunnel splitting: A semiclassical stochastic approach Casado-Pascual J, Denk C, Morillo M, Cukier RI
11187 - 11193	The effects of librations on the C-13 chemical shift and H-2 electric field gradient tensors in beta-calcium formate Hallock KJ, Lee DK, Ramamoorthy A
11194 - 11201	Zero-field magnetic resonance of the photo-excited triplet state of pentacene at room temperature Yang TC, Sloop DJ, Weissman SI, Lin TS
11202 - 11211	Potential energy surfaces of supercooled water: Intrabasin and interbasin structures explored by quenching, normal mode excitation, and basin hopping Tanaka H
11212 - 11221	Dephasing of individual rotational states in liquids Jang J, Stratt RM
11222 - 11236	Spectroscopy and dynamics of mixtures of water with acetone, acetonitrile, and methanol Venables DS, Schmuttenmaer CA
11237 - 11244	Theoretical studies on anomalous phases of photodoped systems in two-band model Nagao H, Nishino M, Shigeta Y, Yoshioka Y, Yamaguchi K
11245 - 11257	Mechanisms of the ultrafast production and recombination of solvated electrons in weakly polar fluids: Comparison of multiphoton ionization and detachment via the charge-transfer-to-solvent transition of Na- in THF Martini IB, Barthel ER, Schwartz BJ
11258 - 11263	Memory function for dielectric relaxation Diaz-Calleja R, Garcia-Bernabe A, Sanchis MJ, del Castillo LF
11264 - 11269	Combined Hartree-Fock quantum mechanical and molecular mechanical molecular dynamics simulations of water at ambient and supercritical conditions Tu YQ, Laaksonen A
11270 - 11279	Nonequilibrium formulation of infrared frequencies and intensities in solution: Analytical evaluation within the polarizable continuum model Cappelli C, Corni S, Cammi R, Mennucci B, Tomasi J
11280 - 11283	The power law relation of spiral waves in the Belousov-Zhabotinsky reaction Li Y, Bai SF, Qi OY
11284 - 11292	Interaction of sulfur with Pt(111) and Sn/Pt(111): Effects of coverage and metal-metal bonding on reactivity toward sulfur Rodriguez JA, Hrbek J, Kuhn M, Jirsak T, Chaturvedi S, Maiti A
11293 - 11296	Nonlinear effects of physisorption on static friction Gao GT, Zeng XC, Diestler DJ
11297 - 11305	Orientation of thin liquid crystal films on buffed polyimide alignment layers: A near-edge x-ray absorption fine structure investigation Weiss K, Woll C, Johannsmann D
11306 - 11314	Vibronic interpretation of the low-energy absorption spectrum of the sexithiophene single crystal Petelenz P, Andrzejak M
11315 - 11323	Self-affine silver films and surface-enhanced Raman scattering: Linking spectroscopy to morphology Douketis C, Haslett TL, Wang Z, Moskovits M, Iannotta S
11324 - 11335	Glass transition and layering effects in confined water: A computer simulation study Gallo P, Rovere M, Spohr E
11336 - 11342	Fluctuations in the number of irreversibly adsorbed particles Adamczyk Z, Szyk-Warszynska L, Siwek B, Weronski P
11343 - 11354	Thermodynamic aspects in a simplified model for the folding of two-stranded coiled-coils Prolongo SG, Rubio AM, Rey A
11355 - 11363	Monte Carlo study of the microphase separation of cross-linked polymer blends Lay S, Sommer JU, Blumen A
11364 - 11371	A microemulsion model on sc, bcc and fcc lattices: Ground state properties Buzano C, Pretti M
11372 - 11381	Rigorous Franck-Condon absorption and emission spectra of conjugated oligomers from quantum chemistry Karabunarliev S, Baumgarten M, Bittner ER, Mullen K
11382 - 11392	A configurational-bias approach for the simulation of inner sections of linear and cyclic molecules Chen Z, Escobedo FA
11393 - 11395	Osmotic pressure of ring polymer solutions: A Monte Carlo study Flikkema E, ten Brinke G
11396 - 11397	Comment on "From Rouse dynamics to local relaxation: A neutron spin echo study on polyisobutylene melts" [J. Chem. Phys. 111, 6107 (1999)] Harnau L
11398 - 11399	Response to Comment on 'From Rouse dynamics to local relaxation: A neutron spin echo study on polyisobutylene melts' [J. Chem. Phys. 113, 11396 (2000)] Richter D, Monkenbusch M, Pykhout-Hintzen W, Arbe A, Colmenero J