Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.1 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (19 articles)

1 - 2	Editorial for January 2008 Schatz GC
3 - 8	Double-hybrid functionals for thermochemical kinetics Tarnopolsky A, Karton A, Sertchook R, Vuzman D, Martin JML
9 - 22	A quantum chemistry study of the Cl atom reaction with formaldehyde Gruber-Stadler M, Muhlhauser M, Sellevag SR, Nielsen CJ
23 - 30	Structures of aliphatic amino acid proton-bound dimers by infrared multiple photon dissociation spectroscopy in the 700-2000 cm(-1) region Rajabi K, Fridgen TD
31 - 37	Thermal decomposition of CF3 and the reaction of CF2+OH -> CF2O+H Srinivasan NK, Su MC, Michael JV, Jasper AW, Klippenstein SJ, Harding LB
38 - 44	Ultraviolet cavity ringdown spectra and the S-1(n,pi*) ring-inversion potential energy function for 2-cyclohexen-1-one-d(0) and its 2,6,6-d(3) isotopomer Rishard MZM, Brown EA, Ausman LK, Drucker S, Choo J, Laane J
45 - 57	Molecular structure, vibrational spectra, quantum chemical calculations and photochemistry of picolinamide and isonicotinamide isolated in cryogenic inert matrixes and in the neat low-temperature solid phases Borba A, Gomez-Zavaglia A, Fausto R
58 - 65	Mass spectroscopic observation of shock-induced chemistry in liquid CS2 Engelke R, Blais NC, Sheffield SA
66 - 72	Thermodynamics and kinetics of glyoxal dimer formation: A computational study Kua J, Hanley SW, De Haan DO
73 - 82	Rate Coefficients for the OH+HC(O)C(O)H (glyoxal) Reaction between 210 and 390 Feierabend KJ, Zhu L, Talukdar RK, Burkholder JB
83 - 88	Theoretical study on the relationship between spin multiplicity effects and nonlinear optical properties of the pyrrole radical (C4H4N center dot) Qiu YQ, Fan HL, Sun SL, Liu CG, Su ZM
89 - 96	Two-dimensional H2O-Cl-2 and H2O-Br-2 potential surfaces: An ab initio study of ground and valence excited electronic states Hernandez-Lamoneda R, Rosas VHU, Uruchurtu MIB, Halberstadt N, Janda KC
97 - 105	Correlation of global electrophilicity with the activation energy in single-step concerted reactions Bagaria P, Roy RK
106 - 116	Characterizing the properties of the N7,N9-dimethylguaninium chloride ion pairs: Prospecting for the design of a novel ionic liquid Xing DX, Bu YX, Tan XJ
117 - 124	Theoretical study of the enthalpies of formation for C40H56 carotenes Tu CY, Guo WH, Hu CH
125 - 133	Dimers of boroglycine and methylamine boronic acid: A computational comparison of the relative importance of dative versus hydrogen bonding Larkin JD, Milkevitch M, Bhat KL, Markharn GD, Brooks BR, Bock CW
134 - 145	Transition from moderate to strong hydrogen bonds: Its identification and physical bases in the case of O-H center dot center dot center dot O intramolecular hydrogen bonds Mariam YH, Musin RN
146 - 151	Linear C-n clusters: Are they acetylenic or cumulenic? Yang SJ, Kertesz M
152 - 159	Addition reaction of adamantylideneadamantane with Br-2 and 2Br(2): A computational study Islam SM, Poirier RA