Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.107, No.25 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (20 articles)

4973 - 4975	Philicity: A unified treatment of chemical reactivity and selectivity Chattaraj PK, Maiti B, Sarkar U
4976 - 4981	Collisions of HCl with rare gas and molecular colliders Wade EA, Lorenz KT, Springfield JL, Chandler DW
4982 - 4988	Rotational isomerization of dithienylethenes: A study on the mechanism determining quantum yield of cyclization reaction Goldberg A, Murakami A, Kanda K, Kobayashi T, Nakamura S, Uchida K, Sekiya H, Fukaminato T, Kawai T, Kobatake S, Irie M
4989 - 4998	Structure and intramolecular charge-transfer dynamics of p-(dimethylamino)benzonitrile in solvent clusters Saigusa H, Iwase E, Nishimura M
4999 - 5006	Reactivity of small cationic platinum clusters Koszinowski K, Schroder D, Schwarz H
5007 - 5013	Vibrational predissociation spectroscopic and ab initio theoretical studies on protonated ethylenediamine-(water)(3) complex Kim KY, Chang HC, Lee YT, Cho UI, Boo DW
5014 - 5020	Reaction of hydroxyl radical with acetone. 1. Kinetics of the reactions of OH, OD, and (OH)-O-18 with acetone and acetone-d(6) Gierczak T, Gilles MK, Bauerle S, Ravishankara AR
5021 - 5032	Reaction of hydroxyl radical with acetone. 2. Products and reaction mechanism Talukdar RK, Gierczak T, McCabe DC, Ravishankara AR
5033 - 5041	Nuclear magnetic resonance studies of the 1,4-cyclohexanedione-bromate-acid oscillatory system Britton MM
5042 - 5048	Mechanism of pyrrolyl oxidation in star-shaped compounds Lazerges M, Jouini M, Hapiot P, Guiriec P, Lacaze PC
5049 - 5057	Ab initio quantum chemical investigation of the spin states of some chain and monocyclic diradicals Datta SN, Mukherjee P, Jha PP
5058 - 5070	Finite temperature structure and dynamics of zinc dialkyldithiophosphate wear inhibitors: A density functional theory and ab initio molecular dynamics study Mosey NJ, Woo TK
5071 - 5078	From ab initio calculations to model Hamiltonians: The effective Hamiltonian technique as an efficient tool to describe mixed-valence molecules Bolvin H
5079 - 5091	Exploration of the full conformational space of N-acetyl-L-glutamine-N-methylamide. An ab initio and density functional theory study Klipfel MW, Zamora MA, Rodriguez AM, Fidanza NG, Enriz RD, Csizmadia IG
5092 - 5100	Reaction mechanism of the synthesis of ammonia in the N-2/H-2/BeO and N-2/H-2/FeO systems: A theoretical study Hwang DY, Mebel AM
5101 - 5109	Oxygen atom abstraction of hydrogen chemisorbed on a silicon surface Ree J, Kim YH, Shin HK
5110 - 5121	Bound states of the Cl(P-2)-HCl van der waals complex from coupled ab initio potential energy surfaces Zeimen WB, Klos J, Groenenboom GC, van der Avoird A
5122 - 5127	Ab initio predictions for thermochemical parameters for tin-oxygen compounds Nielsen IMB, Janssen CL, Allendorf MD
5128 - 5137	A theoretical study on the structure of poly((R)-3-hydroxybutanoic acid) Li YX, Wu YD
5138 - 5143	Evaluation of photodynamic therapy agents through transient grating measurements Beveridge AC, Bench BA, Gorun SM, Diebold GJ