Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.108, No.5 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (27 articles)

707 - 710	Spin biochemistry: Magnetic isotope effect in the reaction of creatine kinase with CH3HgCl Buchachenko AL, Kouznetsov DA, Shishkov AV
711 - 716	Powder diffraction indexing as a pattern recognition problem: A new approach for unit cell determination based on an artificial neural network Habershon S, Cheung EY, Harris KDM, Johnston RL
717 - 720	Two-dimensional self-diffusion of alkylammonium ions located in the interlayer space of tetrasilicicfluormica Yamauchi M, Ishimaru S, Ikeda R
721 - 726	Experimental and computational studies of the infrared spectra of 3,4-benzotropone and naphtho[2,3-c]tropone: Medium effects on the molecular structures of the tropones Sato T, Niino H, Ohkita M
727 - 733	Ultrafast relaxation process of excited-state NH4 radical in ammonia clusters Okai N, Takahata A, Morita M, Nonose S, Fuke K
734 - 742	Assignment of vibrational spectra of 1,10-phenanthroline by comparison with frequencies and Raman intensities from density functional calculations Reiher M, Brehm G, Schneider S
743 - 753	Saving measurement time in C-13 NMR spectroscopy Kunikeev SD, Taylor HS
754 - 757	Viscosity dependence of the magnetic field effect due to the Delta g mechanism Kitahama Y, Wakasa M, Sakaguchi Y
758 - 769	Are vibrationally excited molecules a clue for the "O-3 deficit problem" and "HOx dilemma" in the middle atmosphere? Varandas AJC
770 - 780	Experimental determination of the H2SO4/HNO3/H2O phase diagram in regions of stratospheric importance Beyer KD, Hansen AR, Raddatz N
781 - 786	Parametrization of 2-bromo-2-chloro-1,1,1-trifluoroethane (halothane) and hexafluoroethane for nonbonded interactions Liu ZW, Xu Y, Saladino AC, Wymore T, Tang P
787 - 794	Water dimers in the atmosphere II: Results from the VRT(ASP-W)III potential surface Goldman N, Leforestier C, Saykally RJ
795 - 805	Atmospheric chemistry of pivalaldehyde and isobutyraldehyde: Kinetics and mechanisms of reactions with Cl atoms, fate of (CH3)(3)CC(O) and (CH3)(2)CHC(O) radicals, and self-reaction kinetics of (CH3)(3)CC(O)O-2 and (CH3)(2)CHC(O)O-2 radicals Le Crane JP, Villenave E, Hurley MD, Wallington TJ, Nishida S, Takahashi K, Matsumi Y
806 - 812	Forward-backward quantum dynamics for time correlation functions Makri N
813 - 822	Theoretical studies on the hydrogen bonding interaction of complexes of formic acid with water Zhou ZY, Shi Y, Zhou XM
823 - 832	Theoretical study of the reaction mechanism of abstraction reactions of disilenes and digermenes with haloalkanes Su MD
833 - 839	The application of the effective fragment potential method to molecular anion solvation: A study of ten oxyanion-water clusters, A(-)(H2O)(1-4) Merrill GN, Webb SP
840 - 847	Theoretical prediction of properties of triazidotri-s-triazine and its azido-tetrazole isomerism Zheng WX, Wong NB, Liang XQ, Long XP, Tian AM
848 - 854	Insights into the electronic dynamics in chemical reactions Aktah D, Passerone D, Parrinello M
855 - 860	Aromaticity of planar B-5(-) anion in the MB5 (M = Li, Na, K, Rb, and Cs) and MB5+ (M = Be, Mg, Ca, and Sr) clusters Li QS, Jin Q
861 - 865	Structure and conformation of perfluoromethyloxalate, CF3OC(O)-C(O)OCF3, in the crystal and in the gas phase Della Vedova CO, Boese R, Willner H, Oberhammer H
866 - 873	Characteristic substituent-shift models for carbon 1s ionization energies and mean dipole-moment derivatives Haiduke RLA, de Oliveira AE, Moreira NH, Bruns RE
874 - 897	Thermochemistry of silicon-hydrogen compounds generalized from quantum chemical calculations Wong HW, Nieto JCA, Swihart MT, Broadbelt LJ
898 - 906	Structural and topological characterization of the three-electron bond: The SO radicals Fourre I, Berges J
907 - 913	Unexpected IR characteristics of hydrogen bonds in the 18-crown-6-ether complex of the H3O+ hydronium ion. Can the location of the protons be specified? Stoyanov ES, Reed CA
914 - 920	Modern valence bond description of the electronic mechanisms of S(N)2 identity reactions Blavins JJ, Cooper DL, Karadakov PB
921 - 927	Hydrogen bonding ability of azabenzenes toward thioacetamide, acetamide, and water Kim JH, Lee HJ, Kim EJ, Jung HJ, Choi YS, Park J, Yoon CJ