Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.36 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (32 articles)

8205 - 8207	A linear energy relationship between activation energy and absolute hardness: A case study with the O(P-3) atom-addition reactions to polyaromatic hydrocarbons Orrego JF, Truong TN, Mondragon F
8208 - 8214	High-resolution microwave spectroscopic and ab initio studies of propanoic acid and its hydrates Ouyang B, Howard BJ
8215 - 8225	Complex dynamics at conical intersections: Vibronic spectra and ultrafast decay of electronically excited trifluoroacetonitrile radical cation Mondal T, Mahapatra S
8226 - 8230	Size- and shape-dependent polarizabilities of sandwich and rice-ball Co(n)Bz(m) clusters from density functional theory Wang JL, Zhu LY, Zhang XY, Yang ML
8231 - 8237	Femtosecond dynamics of piroxicam structures in solutions Gil M, Douhal A
8238 - 8253	Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption Druzhinin SI, Kovalenko SA, Senyushkina TA, Demeter A, Machinek R, Noltemeyer M, Zachariasse KA
8254 - 8262	Mechanism of Ir(ppy)(2)(N N)(+) (N N=2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline) sensor for F-, CF3COOH, and CH3COO-: Density functional theory and time-dependent density functional theory studies Liu T, Zhang HX, Zhou X, Zheng QC, Xia BH, Pan QJ
8263 - 8272	Ion-pair dissociation dynamics of Cl-2: Adiabatic state correlation Zhou C, Hao YS, Mo YX
8273 - 8279	Photophysics and deactivation pathways of thymine Zechmann G, Barbatti M
8280 - 8287	The infrared spectrum of solid L-alanine: Influence of pH-induced structural changes Garcia AR, de Barros RB, Lourenco JP, Ilharco LM
8288 - 8294	Raman spectroscopy of the mixtures (x)1-butyl-1-methylpyrrolidinium chloride-(1-x)TaCl5 in solid and molten states Balushkina OB, Ekres S, Nauer GE
8295 - 8302	Disproportionation pathways of aqueous hyponitrite radicals (HN2O2 center dot/N2O2 center dot-) Poskrebyshev GA, Shafirovich V, Lymar SV
8303 - 8309	Hydrogen nuclear spin relaxation in hydrogen-ice clathrate Senadheera L, Conradi MS
8310 - 8315	Photophysical studies of the trans to cis isomerization of the push-pull molecule: 1-(pyridin-4-yl)-2-(N-methylpyrrol-2-yl)ethene (mepepy) Mokdad A, Belof JL, Yi SW, Shuler SE, McLaughlin ML, Space B, Larsen RW
8316 - 8322	New insight into photochemistry of ferrioxalate Pozdnyakov IP, Kel OV, Plyusnin VF, Grivin VP, Bazhin NM
8323 - 8332	Spectroscopy and femtosecond dynamics of excited-state proton transfer induced charge transfer reaction Hsieh CC, Cheng YM, Hsu CJ, Chen KY, Chou PT
8333 - 8336	Molecular dynamics and NMR analysis of the configurational C-13 assignment of epimeric 22,23-epoxides of stigmasterol Suardiaz R, Maestre M, Suarez E, Bernardo Y, Alonso-Becerra E, Perez C
8337 - 8344	Contribution of carbonyl photochemistry to aging of atmospheric secondary organic aerosol Mang SA, Henricksen DK, Bateman AP, Andersen MPS, Blake DR, Nizkorodov SA
8345 - 8378	Organosulfate formation in biogenic secondary organic aerosol Surratt JD, Gomez-Gonzalez Y, Chan AWH, Vermeylen R, Shahgholi M, Kleindienst TE, Edney EO, Offenberg JH, Lewandowski M, Jaoui M, Maenhaut W, Claeys M, Flagan RC, Seinfeld JH
8379 - 8386	A combined spectroscopic and theoretical study of dibutyltin diacetate and dilaurate in supercritical CO2 Renault B, Cloutet E, Cramail H, Hannachi Y, Tassaing T
8387 - 8393	Theoretical studies of blue-emitting iridium complexes with different ancillary ligands Gu X, Fei T, Zhang HY, Xu H, Yang B, Ma YG, Liu XD
8394 - 8402	Photochemistry of protonated nitrosamine: Chemical inertia of NH2NOH+ versus reactivity of NH3NO+ Pelaez D, Arenas JF, Otero JC, Avila FJ, Soto J
8403 - 8410	A combined high-resolution X-ray powder diffraction, computational, and XPS study of the local structure of extra-framework copper ions in over-exchanged Cu-MCM22 zeolite Milanesio M, Croce G, Viterbo D, Pastore HO, Mascarenhas AJD, Munsignatti ECDO, Meda L
8411 - 8417	One-electron oxidation of 2'-deoxyadenosine-5'-phosphate: Comparisons of theoretical calculations with experimental values Close DM
8418 - 8422	Magnetic interactions in two heterobridged dinuclear copper(II) complexes: Orbital complementarity or countercomplementarity? Wang LL, Sun YM, Qi ZN, Liu CB
8423 - 8429	Theoretical study on second hyperpolarizabilities of singlet diradical square planar nickel complexes involving o-semiquinonato type ligands Fukui H, Kishi R, Minami T, Nagai H, Takahashi H, Kubo T, Kamada K, Ohta K, Champagne B, Botek E, Nakano M
8430 - 8435	Validation of dispersion-corrected density functional theory approaches for ionic liquid systems Zahn S, Kirchner B
8436 - 8445	Vibrational contributions to indirect spin-spin coupling constants calculated via variational anharmonic approaches Hansen MB, Kongsted J, Toffoli D, Christiansen O
8446 - 8454	A computational characterization of boron-oxygen multiple bonding in HN=CH-CH=CH-NH-BO Larkin JD, Bhat KL, Markham GD, James TD, Brooks BR, Bock CW
8455 - 8463	A study of the hydrogen abstraction reactions of C2H radical with CH3CN, C2H5CN, and C3H7CN by dual-level generalized transition state theory Zhao ZX, Liu JY, Wang L, Zhang HX, Hou CY, Sun CC
8464 - 8470	Conformational changes in cryptophane having C-1-symmetry studied by vibrational circular dichroism Brotin T, Cavagnat D, Buffeteau T
8471 - 8477	The HSSS radical and the HSSS- anion de Petris G, Cartoni A, Rosi M, Troiani A