Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.105, No.21 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (30 articles)

5055 - 5060	Anisotropic reorientational dynamics of toluene in neat liquid. A C-13 nuclear magnetic relaxation study Sturz L, Dolle A
5061 - 5070	Mechanism of the major orientation polarization in alcohols, and the effects of steric hindrance-, and dilution-induced decrease on H-bonding Kalinovskaya OE, Vij JK, Johari GP
5071 - 5080	Real-time probing of intramolecular vibrational energy redistribution and intermolecular vibrational energy transfer of selectively excited CH2I2 molecules in solution Charvat A, Assmann J, Abel B, Schwarzer D
5081 - 5095	Impulsive control of ground surface dynamics of I-3(-) in solution Gershgoren E, Vala J, Kosloff R, Ruhman S
5096 - 5105	A first principles exploration of a variety of active surfaces and catalytic sites in Ziegler-Natta heterogeneous catalysis Boero M, Parrinello M, Weiss H, Huffer S
5106 - 5110	On the photochemistry of purine nucleobases Nir E, Kleinermanns K, Grace L, de Vries MS
5111 - 5118	Electronic spectroscopy of jet-cooled 1,2'-binaphthyl Zhang FT, Votava O, Lacey AR, Kable SH
5119 - 5122	Analysis of oligosaccharide conformation by NMR spectroscopy utilizing H-1,H-1 and H-1,C-13 residual dipolar couplings in a dilute liquid crystalline phase Lycknert K, Maliniak A, Widmalm G
5123 - 5130	Kinetic and product study of the Cl-initiated oxidation of 1,2,3-trichloropropane (CH2CICHCICH2Cl) Voicu I, Barnes I, Becker KH, Wallington TJ, Inoue Y, Kawasaki M
5131 - 5136	Kinetics of the reactions of Cl(P-2(1/2)) and Cl(P-2(3/2)) atoms with C2H6, C2D6, CH3F, C2H5F, and CH3CF3 at 298 K Hitsuda K, Takahashi K, Matsumi Y, Wallington TJ
5137 - 5145	Water-mediated proton transfer: A mechanistic investigation on the example of the hydration of sulfur oxides Loerting T, Liedl KR
5146 - 5154	Atmospheric oxidation mechanism of methyl formate Wallington TJ, Hurley MD, Maurer T, Barnes I, Becker KH, Tyndall GS, Orlando JJ, Pimentel AS, Bilde M
5155 - 5164	Diffusion kinetics of HC1 hydrates in ice measured using infrared laser resonant desorption depth-profiling Livingston FE, George SM
5165 - 5177	Heterogeneous reaction of HOI with sodium halide salts Mossinger JC, Cox RA
5178 - 5187	Uptake and reaction of ClONO2 on NaCl and synthetic sea salt Gebel ME, Finlayson-Pitts BJ
5188 - 5196	Quantification of the tropospheric removal of chloral (CCl3CHO): Rate coefficient for the reaction with OH, UV absorption cross sections, and quantum yields Talukdar RK, Mellouki A, Burkholder JB, Gilles MK, Le Bras G, Ravishankara AR
5197 - 5205	Internal coordinate couplings and symmetry properties: The search of a conical seam in protonated oxygen Ceotto M, Gianturco FA
5206 - 5211	Joint experimental and theoretical characterization of the electronic structure of 4,4'-bis(N-m-tolyl-N-phenylamino)biphenyl (TPD) and substituted derivatives Cornil J, Gruhn NE, dos Santos DA, Malagoli M, Lee PA, Barlow S, Thayumanavan S, Marder SR, Armstrong NR, Bredas JL
5212 - 5220	Isomer identification for fullerene C-84 by C-13 NMR spectrum: A density-functional theory study Sun GY, Kertesz M
5221 - 5231	Gas-phase specific reactivity of isomeric 1,3-benzodithiole anions: Tandem mass spectrometry and DFT theoretical studies Gimbert Y, Arnaud R, de Hoffman E, Tabet JC
5232 - 5241	Intramolecular effects and relative stabilities of conformers of gaseous glycine Pacios LF, Galvez O, Gomez PC
5242 - 5254	Ground and excited states of zinc phthalocyanine studied by density functional methods Ricciardi G, Rosa A, Baerends EJ
5255 - 5259	Simple estimation of electron correlation energies for alkali metal diflouride molecules Zhuo SP, Wei JC, Ju GZ
5260 - 5265	Thermal decomposition pathways and rates for dimethylaluminum hydride Walch SP, Dateo CE
5266 - 5271	A computational study of neutral and charged pyrroles. Functionalization of 1-phenylpyrrole and 2,5-dimethyl-1-phenylpyrrole with electron donating methylsulfanyl groups Aleman C, Domingo VM, Julia L
5272 - 5279	Calculation of the rovibrational partition function using classical methods with quantum corrections Prudente FV, Riganelli A, Varandas AJC
5280 - 5291	Topological analysis of chemical bonding in cyclophosphazenes Luana V, Pendas AM, Costales A, Carriedo GA, Garcia-Alonso FJ
5292 - 5297	Evidence of C-H center dot center dot center dot O hydrogen bonds in liquid 4-ethoxybenzaldehyde by NMR and vibrational spectroscopies Marques MPM, da Costa AMA, Ribeiro-Claro PJA
5298 - 5303	Vicinal NMR proton-proton coupling constants. An NBO analysis Esteban AL, Galache MP, Mora F, Diez E, Casanueva J, Fabian JS, Barone V, Peralta JE, Contreras RH
5304 - 5308	Selective oxidation of methane to methanol and formaldehyde with nitrous oxide in a dielectric-barrier discharge - Plasma reactor Matsumoto H, Tanabe S, Okitsu K, Hayashi Y, Suib SL