Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.107, No.1 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (27 articles)

1 - 3	Diffusion of water in liquid and supercritical carbon dioxide: An NMR study Xu B, Nagashima K, DeSimone JM, Johnson CS
4 - 12	Using diffusion Monte Carlo to evaluate the initial conditions for classical studies of the photodissociation dynamics of HCl dimer Auer BM, McCoy AB
13 - 18	The field-assisted stepwise dissociation of acetone in an intense femtosecond laser field Tang XP, Wang SF, Elshakre ME, Gao LR, Wang YL, Wang HF, Kong FA
19 - 24	Formation of molecular iodine from the two-photon dissociation of CI4 and CHI3: An experimental and computational study Tweeten ED, Petro BJ, Quandt RW
25 - 34	Investigation of the gas-phase amino acid alanine by synchrotron radiation photoelectron spectroscopy Powis I, Rennie EE, Hergenhahn U, Kugeler O, Bussy-Socrate R
35 - 42	Zeeman effects in transient spectral hole-burning of the R-1 line of NaMgAl(Oxalate)(3)center dot 9H(2)O/Cr(III) in low magnetic fields Hughes JL, Riesen H
43 - 52	Excitonic behavior of rhodamine dimers: A single-molecule study Hernando J, van der Schaaf M, van Dijk EMHP, Sauer M, Garcia-Parajo MF, van Hulst NF
53 - 62	Intramolecular hydrogen bonding in 2-chloroethanol and 2-bromoethanol and anisotropic interactions with He*(2(3)S) metastable atoms: Two-dimensional penning ionization electron spectroscopy combined with quantum chemistry calculations Tian SX, Kishimoto N, Ohno K
63 - 72	Isomerization and decomposition reactions of primary alkoxy radicals derived from oxygenated solvents Ferenac MA, Davis AJ, Holloway AS, Dibble TS
73 - 75	The effect of light on the Bray-Liebhafsky reaction Keki S, Szekely G, Beck MT
76 - 82	Formation of cyanate (OCN) and fulminate (ONC) radicals from anionic precursors in the gas phase. A joint experimental and theoretical study Dua S, Bowie JH
83 - 90	Excited state prototropic activities in 2-hydroxy 1-naphthaldehyde Chowdhury P, Panja S, Chakravorti S
91 - 96	Theoretical study on cystine-based cyclobisamides Ferrante F, La Manna G
97 - 103	Theoretical calculation of the optical Anisotropy of substituted cyclohexanes and associated bisphenyl molecules using experimentally derived group polarizabilities Sulatha MS, Sivaram S, Natarajan U
104 - 114	Electronic structure and magnetic properties of Y2Ti(mu-X)(2)TiY2 (X, Y=H, F, Cl, Br) isomers Aikens CM, Gordon MS
115 - 126	Hydrogen atom adducts to the amide bond. Generation and energetics of amide radicals in the gas phase Syrstad EA, Stephens DD, Turecek F
127 - 130	Bond orders and their relationships with cumulant and unpaired electron densities Torre A, Lain L, Bochicchio R
131 - 139	Effects of substituting group on the hydrogen bonding in phenol-H2O complexes: Ab initio study Ahn DS, Park SW, Lee S, Kim B
140 - 147	Quantum chemical calculation of excited states of flavin-related molecules Neiss C, Saalfrank P, Parac M, Grimme S
148 - 158	Configuration interaction study of the low-lying electronic states of silicon monoxide Chattopadhyaya S, Chattopadhyay A, Das KK
159 - 168	A mechanistic study of the Bronsted-acid catalysis of n-hexane -> propane plus propene, featuring carbonium ions Hunter KC, Seitz C, East ALL
169 - 177	Semiempirical characterization of homonuclear diatomic ions: 6. Group VI and VII anions Chen ES, Chen ECM
178 - 185	pH-dependent spectroscopy and electronic structure of the guanine analogue 6,8-dimethylisoxanthopterin Seibert E, Chin AS, Pfleiderer W, Hawkins ME, Laws WR, Osman R, Ross JBA
186 - 190	Molecular structure, vibrational frequencies, and energetics of the HCO, HOCO, and HCO2 anions Dixon DA, Feller D, Francisco JS
191 - 197	Density functional calculations of small anionic clusters of group III nitrides Costales A, Pandey R
198 - 203	Ab initio study of the thermal isomerization of tricyclo[3.1.0.0(2,6)]hexane to (Z,Z)-1,3-cyclohexadiene through the (E,Z)-1,3-cyclohexadiene intermediate Davis SR, Nguyen KA, Lammertsma K, Mattern DL, Walker JE
204 - 209	Geometric and energetic aspects of aluminum nitride cages Wu HS, Zhang FQ, Xu XH, Zhang CJ, Jiao HJ