Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.106, No.1 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (26 articles)

1 - 11	The nature of the intramolecular charge transfer excited state in p-pyrrolocyanobenzene (PBN) and other derivatives of benzene substituted by electron donor and acceptor groups Zilberg S, Haas Y
12 - 20	Long distance photoinduced electron transfer in solutions: A mechanism for producing large yields of free ions by electron transfer quenching Zhou JW, Shah RP, Findley BR, Braun CL
21 - 31	Intra- and intermolecular photoinduced energy and electron transfer between oligothienylenevinylenes and N-methylfulleropyrrolidine Apperloo JJ, Martineau C, van Hal PA, Roncali J, Janssen RAJ
32 - 34	Cooperative salt bridge stabilization of gas-phase zwitterions in neutral arginine clusters Julian RR, Beauchamp JL, Goddard WA
35 - 40	Photoabsorption of nitrous oxide through Rydberg states in the bound and continuum spectral regions: Main ionization channels Bustos E, Velasco AM, Martin I, Lavin C
41 - 50	Conformational and infrared spectral studies of L-methionine and its N-deuterated isotopomer as isolated zwitterions Cao XL, Fischer G
51 - 62	Dynamic effects on the powder line shapes of half-integer quadrupolar nuclei: A solid-state NMR study of XO4- groups Schurko RW, Wi S, Frydman L
63 - 73	Vibrational and electronic Spectroscopy of the fluorene cation Szczepanski J, Banisaukas J, Vala M, Hirata S, Bartlett RJ, Head-Gordon M
74 - 82	Pulsed EPR characterization of the low-spin iron(III) porphyrinate complexes with phenyl isocyanide ligands having the d(xy) orbital ground state Astashkin AV, Raitsimring AM, Kennedy AR, Shokhireva TK, Walker FA
83 - 91	Insertion of the Al atom into alkyl ethers: Semiempirical SCF MO and matrix isolation ESR study Kasai PH
92 - 95	Infrared spectrum of the hyponitrite dianion, N2O22-, isolated and insulated from stabilizing metal cations in solid neon Andrews L, Wang XF, Zhou MF, Liang BY
96 - 103	Size-selected nanoparticle chemistry: Kinetics of soot oxidation Higgins KJ, Jung HJ, Kittelson DB, Roberts JT, Zachariah MR
104 - 107	Sonolytic degradation of phthalic acid esters in aqueous solutions. Acceleration of hydrolysis by sonochemical action Yim B, Nagata Y, Maeda Y
108 - 114	Transient negative species in supercritical carbon dioxide: Electronic spectra and reactions of CO2 anion clusters Takahashi K, Sawamura S, Dimitrijevic NM, Bartels DM, Jonah CD
115 - 121	Ab initio and kinetic calculation for the abstraction reaction of atomic O(P-3) with SiH4 Zhang QZ, Wang SK, Zhou JH, Gu YH
122 - 129	Ab initio and kinetic calculations for the reactions of H with (CH3)((4-n))GeHn (n = 1, 2, 3, 4) Zhang QZ, Zhang DJ, Wang SK, Gu YH
130 - 148	Molecular dynamics simulation of methanolic and ethanolic silica-based sol-gel solutions at ambient temperature and pressure Pereira JCG, Catlow CRA, Price GD
149 - 156	Transformation and structure of cation radicals in L-alpha-alanine Petrenko TL
157 - 164	The relationship between binding models of TMA with furan and imidazole and the molecular electrostatic potentials: DFT and MP2 computational studies Liu T, Gu JD, Tan XJ, Zhu WL, Luo XM, Jiang HL, Ji RY, Chen KX, Silman I, Sussman JL
165 - 169	Following reaction pathways using a damped classical trajectory algorithm Hratchian HP, Schlegel HB
170 - 175	Density functional theory analysis of nickel octaethylporphyrin ruffling Stoll LK, Zgierski MZ, Kozlowski PM
176 - 180	Reaction cross sections and rate constants for the Cl+H-2 reaction from quasiclassical trajectory calculation on two new ab initio potential energy surfaces Shen CS, Wu T, Ju GZ, Bian WS
181 - 183	Direct investigation of the validity of vertical approximation in the calculation of transition moment matrix elements: n -> pi* transition in methyl formate Rocha AB, Pimentel AS, Bielsehowsky CE
184 - 199	Hydrolysis, solvation, and reduction of SO3, S2O6, ClO3(OH), Cl2O7, and ArO4-relating chemical properties to the instability of S=O, Cl=O, and Ar=O groups Johnson JRT, Panas I
200 - 208	Stopped-flow and DFT studies of proton transfer and isomerization of 5-amino-3-imino-1,2,6,7-tetracyano-3H-pyrrolizine and its related base 2-(5-amino-3,4-dicyano-2H-pyrrol-2-ylidene)-1,1,2-tricyanoethanide in water: A completely sorted out square scheme Collange E, Flamini A, Poli R
209 - 214	Photocyclization/cycloreversion quantum yields of diarylethenes in single crystals Shibata K, Muto K, Kobatake S, Irie M