Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.104, No.2 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (34 articles)

171 - 175	Enhancement of N2O4 on porous glass at room temperature: A key intermediate in the heterogeneous hydrolysis of NO2? Barney WS, Finlayson-Pitts BJ
176 - 191	A novel network structure of organometallic clusters in the gas phase Nakajima A, Kaya K
192 - 202	Photosensitized generation of singlet oxygen from vinyl linked benzo-crown-ether-bipyridyl ruthenium(II) complexes Abdel-Shafi AA, Beer PD, Mortimer RJ, Wilkinson F
203 - 208	Decomposition of gaseous phthalic anhydride from a vibrationally hot molecule formed by ArF laser irradiation Yatsuhashi T, Nakashima N
209 - 216	Optical properties of Eu-doped and Eu-Gd Co-doped CsMgCl3: Temperature dependence of rate constants for D-5(2) and D-5(1) cross relaxation in-symmetric Eu(III)-Eu(III) pairs Xiao LS, Lang M, May PS
217 - 232	Do semiclassical trajectory theories provide an accurate picture of radiationless decay for systems with accessible surface crossings? Hack MD, Jasper AW, Volobuev YL, Schwenke DW, Truhlar DG
233 - 242	Projected unrestricted Hartree-Fock calculations and the magnetism of large nickel clusters Estiu GL, Cory MG, Zerner MC
243 - 248	Mechanisms of ion ejection from liquid beam under irradiation of laser by simultaneous detection of ions produced inside a liquid beam and ejected into a vacuum Kohno JY, Mafune F, Kondow T
249 - 257	Numerical pattern recognition analysis of CO atmospheric simulation experiments Jacobson MP, Coy SL, Field RW, Lipson SJ, Lockwood RB, Vititoe DL, Blumberg WAM, Armstrong PS
258 - 264	Structural studies of higher energy conformers by millimeter-wave spectroscopy: Oxalic acid Godfrey PD, Mirabella MJ, Brown RD
265 - 274	Hydrogen bonding in 2-propanol. The effect of fluorination Schaal H, Haber T, Suhm MA
275 - 279	Far-infrared and Raman spectra and vibrational potential energy surface for the ring-puckering and ring-flapping of coumaran Bondoc E, Klots T, Laane J
280 - 287	Damped pseudospectral functional forms of the falloff behavior of unimolecular reactions Venkatesh PK
288 - 292	A laser flash photolysis study on the reaction mechanisms of benzil with various amines Okutsu T, Ooyama M, Hiratsuka H, Tsuchiya J, Obi K
293 - 296	Product branching ratio of the HCCO plus NO reaction Rim KT, Hershberger JF
297 - 300	Internal signal stochastic resonance in a modified flow oregonator model driven by colored noise Zhong S, Xin HW
301 - 307	The sonochemical degradation of azobenzene and related azo dyes: Rate enhancements via Fenton's reactions Joseph JM, Destaillats H, Hung HM, Hoffmann MR
308 - 319	Temperature dependence of the HO2+ClOreaction. 1. Reaction kinetics by pulsed photolysis-ultraviolet absorption and ab initio studies of the potential surface Nickolaisen SL, Roehl CM, Blakeley LK, Friedl RR, Francisco JS, Liu RF, Sander SP
320 - 328	Ab initio mechanism and multichannel RRKM-TST rate constant for the reaction of Cl(P-2) with CH2CO (ketene) Hou H, Wang BS, Gu YS
329 - 335	A unique method for laboratory quantification of gaseous nitrous acid (HONO) using the reaction HONO+HCl -> ClNO+H2O Wingen LM, Barney WS, Lakin MJ, Brauers T, Finlayson-Pitts BJ
336 - 344	An Oregonator-class model for photoinduced behavior in the Ru(bpy)(3)(2+)-catalyzed Belousov-Zhabotinsky reaction Amemiya T, Ohmori T, Yamaguchi T
345 - 351	Atmospheric oxidation mechanism of methyl acetate Christensen LK, Ball JC, Wallington TJ
352 - 361	Fragmentation of radical anions of polyfluorinated benzoates Konovalov VV, Laev SS, Beregovaya IV, Shchegoleva LN, Shteingarts VD, Tsvetkov YD, Bilkis I
362 - 369	Structural defects in polythiophenes: Monte Carlo simulations with quantum mechanical growth probabilities Yurtsever M, Yurtsever E
370 - 379	Vibrational analysis of the ground states of trifluoroacetyl fluoride and trifluoroacetyl chloride Bent GD, Zerrad E, Trucks GW, Wiberg KB, Taing L
380 - 388	Theoretical study of formic acid anhydride formation from carbonyl oxide in the atmosphere Aplincourt P, Ruiz-Lopez MF
389 - 396	The electronic adiabatic-diabatic transformation matrix: A theoretical and numerical study of a three-state system Alijah A, Baer M
397 - 403	The curiously stable B-13(+) cluster and its neutral and anionic counterparts: The advantages of planarity Fowler JE, Ugalde JM
404 - 407	A density functional study of the H2O-HOCO complex Aloisio S, Francisco JS
408 - 412	Ab initio investigation of the LiHe X (2)Sigma(+), A (2)Pi, and B (2)Sigma(+) states: A basis set study Kerkines ISK, Mavridis A
413 - 421	Model Hamiltonian approach to the infrared intensities of charged conjugated pi-electron systems Torii H
422 - 432	Electronic states of Al3As2, Al3As2-, Al3As2+, Al2As3, Al2As3-, and Al2As3+ Feng PY, Dai DG, Balasubramanian K
433 - 435	Influence of C-H center dot center dot center dot O interactions on the conformation of methyl groups quantified from neutron diffraction data Steiner T
436 - 442	Computationally efficient methodology to calculate C-H and C-X (X = F, Cl, and Br) bond dissociation energies in haloalkanes McGivern WS, Derecskei-Kovacs A, North SW, Francisco JS