Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.106, No.39 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (20 articles)

8979 - 8991	Substituent effects in molecular electronic relaxation dynamics via time-resolved photoelectron spectroscopy: pi pi* states in benzenes Lee SH, Tang KC, Chen IC, Schmitt M, Shaffer JP, Schultz T, Underwood JG, Zgierski MZ, Stolow A
8992 - 8995	Rotational-level dependence of OH A(2)Sigma(+) quenching at 242 and 196 K Hemming BL, Crosley DR
8996 - 9008	Isotope effects in the formation of molecular hydrogen on a graphite surface via an Eley-Rideal mechanism Meijer AJHM, Farebrother AJ, Clary DC
9009 - 9016	Ohmic Brownian oscillator approach to hole-burning and photon-echo spectroscopies Toutounji M
9017 - 9023	Reactions of zirconium and hafnium atoms with ammonia. Matrix infrared spectra and density functional calculations of the MNH3 and H2MNH (M = Zr and Hf) molecules Zhou MF, Chen MH, Zhang LN, Lu H
9024 - 9029	Decomposition of HMX at extreme conditions: A molecular dynamics simulation Manaa MR, Fried LE, Melius CF, Elstner M, Frauenheim T
9030 - 9035	Reaction kinetics in the ionic liquid methyltributylammonium bis(trifluoromethylsulfonyl)imide. Pulse radiolysis study of 4-mercaptobenzoic acid Grodkowski J, Neta P
9036 - 9041	Pulse radiolysis study on reactions of a hydrated electron with europium(III)-aminopolycarboxylate complexes in aqueous perchlorate media Nagaishi R, Kimura T, Yoshida Y, Kozawa T, Tagawa S
9042 - 9052	Density functional study and normal-mode analysis of the bindings and vibrational frequency shifts of the pyridine-M (M = Cu, Ag, Au, Cu+, Ag+, Au+, and Pt) complexes Wu DY, Ren B, Jiang YX, Xu X, Tian ZQ
9053 - 9058	Theoretical study of the aza-Wittig reactions of X3P=NH (X = H and Cl) with formaldehyde in gas phase and in solution Xue Y, Xie DQ, Yan GS
9059 - 9064	Theoretical study of the adsorption of bisulfate on small gold clusters Legault MD, Bacelo DE
9065 - 9070	Comparative G2(MP2) molecular orbital study of B3H7XH3 and H3BXH3 donor-acceptor complexes (X = N, P, and As) Es-sofi A, Serrar C, Ouassas A, Jarid A, Boutalib A, Nebot-Gil I, Tomas F
9071 - 9077	Theoretical investigation of the kinetics for the reactions of H with GeH(4-n)Fn (n = 0, 1, 2, 3) Zhang QZ, Wang SK, Gu YS
9078 - 9084	Ab initio study of the thiolysis of trimethyl phosphate ester in the gas phase Menegon G, Loos M, Chaimovich H
9085 - 9091	Physicochemical interpretation of molecular connectivity indices Estrada E
9092 - 9103	Influence of substituents on cation-pi interactions. 2. Absolute binding energies of alkali metal cation-fluorobenzene complexes determined by threshold collision-induced dissociation and theoretical studies Amunugama R, Rodgers MT
9104 - 9113	A computational study of the hydration of the OH radical Hamad S, Lago S, Mejias JA
9114 - 9119	Halogen bond in (CH3)(n)X (X = N, P, n = 3; X = S, n = 2) and (CH3)(n)XO (X = N, P, n = 3; X = S, n = 2) adducts with CF3I. Structural and energy analysis including relativistic zero-order regular approximation approach in a density functional theory framework Romaniello P, Lelj F
9120 - 9131	Electron localization in liquid acetonitrile Shkrob IA, Sauer MC
9132 - 9144	Electron localization in solid acetonitrile Shkrob IA, Takeda K, Williams F