Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.103, No.8 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (24 articles)

971 - 979	Vibrational energy redistribution in polyatomic liquids: Ultrafast IR-Raman spectroscopy of nitromethane Deak JC, Iwaki LK, Diott DD
980 - 988	Spin and molecular dynamics of biradicals as studied by low field nuclear polarization at variable temperature Yurkovskaya A, Grosse S, Dvinskikh S, Morozova O, Vieth HM
989 - 998	Molecular packing and molecular dynamics study of the transferability of a generalized nitramine intermolecular potential to non-nitramine crystals Sorescu DC, Rice BM, Thompson DL
999 - 1006	Orientational and vibrational relaxation dynamics of perylene and 1-methylperylene in n-alcohols: Probing the balance between van der Waals and hydrogen-bonding interactions Goldie SN, Blanchard GJ
1007 - 1013	Theoretical study of the electronic spectrum of the SiC- anion Cai ZL, Francois JP
1014 - 1024	Dynamics of excimer formation and relaxation in the T-shaped benzene dimer Hirata T, Ikeda H, Saigusa H
1025 - 1028	Vanadium and niobium hexadinitrogen and hexacarbonyl complexes: Electron-spin-resonance spectra at 4 K Parrish SH, Van Zee RJ, Weltner W
1029 - 1037	Chemical shift tensors of directly bonded phosphorus nuclei in unsaturated four-membered rings. Solid-state P-31 NMR and theoretical study of trans- and cis-substituted diphosphetes Bernard GM, Wu G, Lumsden MD, Wasylishen RE, Maigrot N, Charrier C, Mathey F
1038 - 1043	Bromination reactions important in the mechanism of the Belousov-Zhabotinsky system Sirimungkala A, Forsterling HD, Dlask V, Field RJ
1044 - 1053	Mechanism of the gas-phase HO+H2O -> H2O+OH reaction and several associated isotope exchange reactions: A canonical variational transition state theory plus multidimensional tunneling calculation Masgrau L, Gonzalez-Lafont A, Lluch JM
1054 - 1072	Ab initio quantum chemical and experimental (shock tube) studies of the pyrolysis kinetics of acetonitrile Sendt K, Ikeda E, Bacskay GB, Mackie JC
1073 - 1077	CmHn+ reactions with atomic and molecular nitrogen: An experimental study Scott GBI, Fairley DA, Freeman CG, McEwan MJ, Anicich VG
1078 - 1083	Theoretical study of the H3PNH+H2CO reaction mechanism via five reaction channels Lu WC, Liu CB, Sun CC
1084 - 1093	A theoretical study of the electronic coupling element for electron transfer in water Miller NE, Wander MC, Cave RJ
1094 - 1103	Theory and modeling of the binding in cationic transition-metal-benzene complexes Yang CN, Klippenstein SJ
1104 - 1108	Structures of RgF(n), (Rg = Xe, Rn, and element 118; n = 2, 4) calculated by two-component spin-orbit methods. A spin-orbit induced isomer of (118)F-4 Han YK, Lee YS
1109 - 1114	On the structure of Al2O3 and photoelectron spectra of Al2O2-and Al2O3- Archibong EF, St-Amant A
1115 - 1125	An infrared spectroscopic and density functional theoretical investigation of the reaction products of laser-ablated scandium and titanium atoms with nitric oxide Kushto GP, Zhou MF, Andrews L, Bauschlicher CW
1126 - 1131	Electronic structures of novel tetrasilyl-substituted ethylenes: 5,5,6,6,11,11,12,12-octaethyl-5,6,11,12-tetrasilanaphthacene and 1,1 ＇-bis(3,4-benzo-2,2,5,5-tetraethyl-2,5-disilacyclopent-3-enylidene) Tanaka K, Yoshii T, Ito A, Ishikawa M, Naka A, Fujitsuka M, Watanabe A, Ito O, Matsuzaki Y
1132 - 1139	Mechanism of acid dissociation in water clusters: Electronic structure studies of (H2O)(n)HX (n = 4, 7; X = OH, F, HS, HSO3, OOSO2H, OOH center dot SO2) Smith A, Vincent MA, Hillier IH
1140 - 1149	Mapped interpolation scheme for single-point energy corrections in reaction rate calculations and a critical evaluation of dual-level reaction path dynamics methods Chuang YY, Corchado JC, Truhlar DG
1150 - 1159	Gas-phase thermochemistry of iron oxides and hydroxides: Portrait of a super-efficient flame suppressant Kellogg CB, Irikura KK
1160 - 1161	Comment on "Distinctive normal harmonic vibrations of [2.2]paracyclophane" Henseler D, Hohlneicher G
1162 - 1163	Reply to comment on "Distinctive normal harmonic vibrations of [2.2]paracyclophane" Walden SE, Glatzhofer DT