Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.105, No.37 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (29 articles)

8385 - 8392	Resonance Raman and ab initio studies of the electronic transitions of aqueous azide anion Waterland MR, Kelley AM
8393 - 8398	A matrix isolation and ab initio study of the hydrogen peroxide dimer Engdahl A, Nelander B, Karlstrom G
8399 - 8402	Vibrational effects on the F-F spin-spin coupling constant ((2h)J(F-F)) in FHF- and FDF- Del Bene JE, Jordan MJT, Perera SA, Bartlett RJ
8403 - 8412	Fragmentation of energy-selected SF5CF3+ probed by threshold photoelectron photoion coincidence spectroscopy: Bond dissociation energy of SF5-CF3 and its atmospheric implications Chim RYL, Kennedy RA, Tuckett RP, Zhou WD, Jarvis GK, Collins DJ, Hatherly PA
8413 - 8416	Matrix and time-resolved infrared spectroscopy of chloro-p-nitrophenylcarbene and related species Tsao ML, Zhu ZD, Platz MS
8417 - 8422	Kinetic and thermodynamic investigations of the photochromism and solvatochromism of semipermanent merocyanines Metelitsa AV, Micheau JC, Voloshin NA, Voloshina EN, Minkin VI
8423 - 8427	Formation of a reactive intermediate in molecular beam chemistry of sodium and water Mercuri F, Mundy CJ, Parrinello M
8428 - 8433	Study of the perpendicular band intensities of the CH chromophore in CHCl3, CHBr3, and CHI3 with three-dimensional dipole moment surface from density functional calculations He SG, Yuan LF, Lin H, Zhu QS, Wang XG
8434 - 8439	A unified electron transfer model for the different precursors and excited states of the hydrated electron Kee TW, Son DH, Kambhampati P, Barbara PF
8440 - 8444	Diffusion coefficients in cold sulfuric acid solution Kleno JG, Kristiansen MW, Nielsen CJ, Pedersen EJ, Williams LR, Pedersen T
8445 - 8448	Size-dependent switching of the spatiotemporal structure between a traveling wave and global rhythm Aihara R, Yoshikawa K
8449 - 8455	Direct measurement of the rate constant for the CH2((X)over-tilde(3)B(1))+CH3 reaction at 300 K Wang BS, Fockenberg C
8456 - 8464	Guided ion beam studies of the reactions of Fe+ and Co+ with CS2 and COS Rue C, Armentrout PB, Kretzschmar I, Schroder D, Schwarz H
8465 - 8487	Molecular mechanics for chemical reactions: A standard strategy for using multiconfiguration molecular mechanics for variational transition state theory with optimized multidimensional tunneling Albu TV, Corchado JC, Truhlar DG
8488 - 8494	Barrier to rotation around the C-sp(2)-C-sp(2) bond of the ketoaldehyde enol ether MeC(O)CH=CH-OEt as determined by C-13 NMR and ab initio calculations Siebert HC, Tajkhorshid E, Dabrowski J
8495 - 8499	Use of DFT methods for the calculation of the entropy of gas phase organic molecules: An examination of the quality of results from a simple approach Guthrie JP
8500 - 8503	Structural and electronic properties of an azamacrocycle, C26H18N6 Doll K, Zwicknagl G
8504 - 8509	Ion pairs in polymer electrolytes revisited: An ab initio study Johansson P, Jacobsson P
8510 - 8515	Structure and binding energies of monohydrated Cd and Cd2+ Lee EPF, Soldan P, Wright TG
8516 - 8532	Understanding the optical band shape: Coumarin-153 steady-state spectroscopy Matyushov DV, Newton MD
8533 - 8540	Chlorofluoroamines: Ab initio and DFT studies on their structure, enthalpies of formation, and unimolecular reaction pathways Shamasundar KR, Arunan E
8541 - 8553	New insight into the nature of electron delocalization: The driving forces for distorting the geometry of stilbene-like species Yu ZH, Peng XQ
8554 - 8561	1,10-phenanthroline and its complexes with magnesium compounds. Disproportionation equilibria Tammiku J, Burk P, Tuulmets A
8562 - 8566	Pyramidalized cycloalkenes (cyclohexene, cycloheptene, and cis-cyclooctene): An MM4 and ab initio study Mastryukov VS, Chen KH, Allinger NL
8567 - 8578	Kinetic isotope effects and variable reaction coordinates in barrierless recombination reactions Taatjes CA, Klippenstein SJ
8579 - 8587	Ionized benzonitrile and its distonic isomers in the gas phase Flammang R, Barbieux-Flammang M, Gualano E, Gerbaux P, Le HT, Nguyen MT, Turecek F, Vivekananda S
8588 - 8598	(V2O5)(n) gas-phase clusters (n=1-12) compared to V2O5 crystal: DFT calculations Vyboishchikov SF, Sauer J
8599 - 8603	The electronic spectrum of H2COH revisited Bruna PJ, Grein F
8604 - 8604	Tellurium(V). A purse radiolysis study (vol 105A, pg 6637, 2001) Klaning UK, Sehested K