Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.103, No.23 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (20 articles)

4427 - 4431	A definitive heat of vaporization of silicon through benchmark ab initio calculations on SiF4 Martin JML, Taylor PR
4432 - 4437	Infrared spectroscopic and ab initio study of HOOClO2 Svensson T, Nelander B, Bernhardsson A, Karlstrom G
4438 - 4445	Theoretical study of the absorption spectrum of [(NH3)(5)Ru-(4,4'-bipyridine)](2+) in solution Cacelli I, Ferretti A
4446 - 4456	Spin effects on spur kinetics. 5. Modeling of coherent phenomena Bolton CE, Green NJB
4457 - 4464	Gas-phase reaction of silylene with acetone: Direct rate studies, RRKM modeling, and ab initio studies of the potential energy surface Becerra R, Cannady JP, Walsh R
4465 - 4469	A laser flash photolysis study of some simple para-substituted derivatives of singlet phenyl nitrene Gritsan NP, Tigelaar D, Platz MS
4470 - 4479	Absolute rate constant and product branching fractions for the reaction between F and C2H4 at T=202-298 K Nesbitt FL, Thorn RP, Payne WA, Tardy DC
4480 - 4484	Spatial disorder and degradation kinetics in intrinsic biodegradation schemes LaViolette RA, Watwood ME, Ginn TR, Stoner DL
4485 - 4493	Theoretical study of V2+OH2/V3+OH2 electron transfer reactivity at electron correlation level Bu YX, Song XY, Liu CB
4494 - 4504	Photophysics of malonaldehyde: An ab initio study Sobolewski AL, Domcke W
4505 - 4513	Ab initio quantum chemical studies of the formaldiminoxy (CH2NO) radical: 1. Isomerization reactions Shapley WA, Bacskay GB
4514 - 4524	Ab initio quantum chemical studies of the formaldiminoxy (CH2NO) radical: 2. Dissociation reactions Shapley WA, Bacskay GB
4525 - 4532	Theoretical evaluation of solvent effects on the conformational and tautomeric equilibria of 2-(2'-hydroxyphenyl)benzimidazole and on its absorption and fluorescence spectra Fores M, Duran M, Sola M, Orozco M, Luque FJ
4533 - 4542	Ionization energies and bonding scheme of multiple-decker sandwich clusters: M-n(C6H6)(n)+1 Yasuike T, Yabushita S
4543 - 4552	High-level ab initio calculations on the gas-phase reactions between C+(P-2) and formic acid Gonzalez AI, Luna A, Yanez M
4553 - 4559	Extension of the neglect of diatomic differential overlap method to spectroscopy. NDDO-G parametrization and results for organic molecules Voityuk AA, Zerner MC, Rosch N
4560 - 4563	Thermochemistry of the ethyl radical and the C-H bond strength in ethane Marshall P
4564 - 4571	Theoretical quantum chemical study of tautomerism and proton transfer in 6,8-dithioguanine Zhanpeisov NU, Cox WW, Leszczynski J
4572 - 4579	Matrix isolation infrared and ab initio study of the 1 : 1 complexes of bromocyclopropane with NH3 and (CH3)(3)N: Evidence for a novel C-H center dot center dot center dot N hydrogen bond Bedell BL, Goldfarb L, Mysak ER, Samet C, Maynard A
4580 - 4586	IMOMO-G2MS approaches to accurate calculations of bond dissociation energies of large molecules Froese RDJ, Morokuma K