Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.102, No.29 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (44 articles)

5735 - 5748	Condensed-phase products in heterogeneous reactions : N2O5, ClONO2, and HNO3 reacting on ice films at 185 K Zondlo MA, Barone SB, Tolbert MA
5749 - 5753	Reduction of Ru(bpy)(2)(AB)(2+) (bpy = 2,2 ＇-bipyridine, AB = 2,2 ＇ : 3 ＇,2 ＇＇ : 6 ＇＇,2 ＇＇＇-quaterpyridine) in aqueous solution. A pulse radiolysis study Casalboni F, Mulazzani QG, Cleary RL, Ward MD
5754 - 5762	Two channels of electron transfer observed for the reaction of n-butyl chloride parent radical cations with naphthols and hydroxybiphenyls Mohan H, Hermann R, Naumov S, Mittal JP, Brede O
5763 - 5768	Theoretical and experimental study on the time-dipole correlation function of 2-(acetyloxy)ethyl-2-(2-naphthyl) acetate (ANA) Saez-Torres P, Saiz E, Diaz-Calleja R, Guzman J, Riande E
5769 - 5774	Time-resolved and pulsed EPR studies on the lowest excited triplet state of 1,4-diphenylbutadiyne Nagano Y, Ikoma T, Akiyama K, Tero-Kubota S
5775 - 5781	Purely mechanical solvation dynamics in supercooled liquids : The S-0 <- T-1 (0-0) transition of naphthalene Wendt H, Richert R
5782 - 5788	High-frequency vibrations of the simplest benzylic amide [2]catenane Fanti M, Fustin CA, Leigh DA, Murphy A, Rudolf P, Caudano R, Zamboni R, Zerbetto F
5789 - 5793	Rotational isomerism of ethanol and matrix isolation infrared spectroscopy Coussan S, Bouteiller Y, Perchard JP, Zheng WQ
5794 - 5801	Application of optical nuclear polarization enhanced C-13 NMR Buntkowsky G, Hoffmann W, Kupka T, Pasterna G, Jaworska M, Vieth HM
5802 - 5808	Resonance-enhanced optical nonlinearities in azothiophenes Morley JO, Naji M, Hutchings MG, Hall N
5809 - 5815	Photoinduced solvent ligation to nickel(II) octaethylporphyrin probed by picosecond time-resolved resonance Raman spectroscopy Uesugi Y, Mizutani Y, Kitagawa T
5816 - 5821	A theoretical study of C2H3ONa Wang YG, Sun CJ, Deng CH
5822 - 5830	Steady-state and time-resolved studies on photoinduced interaction of phenothiazine and 10-methylphenothiazine with chloroalkanes Nath S, Pal H, Palit DK, Sapre AV, Mittal JP
5831 - 5836	XeNO3+ : A gaseous cation characterized by a remarkably strong Xe-O bond Bernardi F, Cacace F, de Petris G, Pepi F, Rossi I
5837 - 5845	Kinetics and mechanism of the reactions of superoxochromium(III) ion with biological thiols Perez-Benito JF, Arias C
5846 - 5856	Gas-phase pyrolysis of 1,3,3-trinitroazetidine : Shock tube kinetics Zhang YX, Bauer SH
5857 - 5866	Ab initio and RRKM studies of the reactions of C, CH, and (CH2)-C-1 with acetylene Guadagnini R, Schatz GC, Walch SP
5867 - 5875	Low-pressure study of the reactions of Br atoms with alkenes. 1. Reaction with propene Bedjanian Y, Poulet G, Le Bras G
5876 - 5885	Isomerization of cyclopropanecarbonitrile. Quantum chemical and model calculations Dubnikova F, Lifshitz A
5886 - 5891	Spectroscopy of hydrothermal reactions. 10. Evidence of wall effects in decarboxylation kinetics of 1.00 m HCO2X (X = H, Na) at 280-330 degrees C and 275 bar Maiella PG, Brill TB
5892 - 5897	A dynamic enzymatic switch Kummer U, Baier G
5898 - 5902	Product branching ratios of the HCO+NO2 reaction Rim KT, Hershberger JF
5903 - 5906	Formation of C3H6 from the reaction C3H7+O-2 between 450 and 550 K Kaiser EW
5907 - 5914	Flavonols and crown-flavonols as metal cation chelators. The different nature of Ba2+ and Mg2+ complexes Roshal AD, Grigorovich AV, Doroshenko AO, Pivovarenko VG, Demchenko AP
5915 - 5922	Ab initio study of the basic hydrolysis of the pyrazolidinone ring Coll M, Frau J, Munoz F, Donoso J
5923 - 5936	Spin-orbit coupling patterns induced by twist and pyramidalization modes in C2H4 : A quantitative study and a qualitative analysis Danovich D, Marian CM, Neuheuser T, Peyerimhoff SD, Shaik S
5937 - 5943	SWARM-MD : Searching conformational space by cooperative molecular dynamics Huber T, van Gunsteren WF
5944 - 5950	Ab initio and density functional theory study of the geometry and reactivity of benzyne, 3-fluorobenzyne, 4-fluorobenzyne, and 4,5-didehydropyrimidine Langenaeker W, De Proft F, Geerlings P
5951 - 5957	Interaction between the guanine-cytosine Watson-Crick DNA base pair and hydrated group IIa (Mg2+, Ca2+, Sr2+, Ba2+) and group IIb (Zn2+, Cd2+, Hg2+) metal cations Sponer J, Burda JV, Sabat M, Leszczynski J, Hobza P
5958 - 5966	Theoretical estimation of the activation energy for the reaction HO center dot+H2O -> H2O+center dot OH : Importance of tunneling Hand MR, Rodriquez CF, Williams IH, Balint-Kurti GG
5967 - 5973	Hardness and chemical potential profiles for some open-shell HAB ->-HBA type reactions. Ab-initio and density functional study Kar T, Scheiner S, Sannigrahi AB
5974 - 5981	Master equation approach to fluctuations in a model excitable spatially extended chemical system Nowakowski B, Kawczynski AL
5982 - 5992	Bonding investigation of the ground and low-lying states of the titanium boride cation, TiB+ Kalemos A, Mavridis A
5993 - 5996	Quantum chemical approach to redox reactions including potential dependence : Application to a model for hydrogen evolution from diamond Anderson AB, Kang DB
5997 - 6003	Local treatment of electron correlation in molecular clusters : Structures and stabilities of (H2O)(n), n = 2-4 Schutz M, Rauhut G, Werner HJ
6004 - 6009	Structural and thermodynamic properties of diyttrium carbides Y2Cn (n=2-8) : A theoretical study Roszak S, Balasubramanian K
6010 - 6016	Theoretical study of the interaction between thymine and water. Protonation and deprotonation enthalpies and comparison with uracil Chandra AK, Nguyen MT, Zeegers-Huyskens T
6017 - 6024	Conformational analysis of the sodium/12-crown-4 complex : Photoionization and ab initio molecular orbital studies Yeh TS, Su TM
6025 - 6034	Gas-phase reactivity of (C5H5Mg)(+) complexes : An experimental and theoretical study Berthelot J, Luna A, Tortajada J
6035 - 6042	Semiquantum expressions for electronically nonadiabatic electron ejection rates Simons J
6043 - 6051	Behavior of electron density functions in molecular interactions Bentley J
6052 - 6053	Comment on "Marcus inverted region in the photoinduced electron transfer reactions of ruthenium(II)-polypyridine complexes with phenolate ions" Li C, Hoffman MZ
6054 - 6055	Comment on "Inverse kinetic isotope effect in the reaction of atomic chlorine with C2H4 and C2D4" Kaiser EW, Wallington TJ
6056 - 6056	Reply to comment on "Inverse kinetic isotope effect in the reaction of atomic chlorine with C2H4 and C2D4" Stutz J, Ezell MJ, Finlayson-Pitts BJ