Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.40 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (23 articles)

10017 - 10019	Removing electrons can increase the electron density: A computational study of negative Fukui functions Melin J, Ayers PW, Ortiz JV
10020 - 10025	The CN stretching band of aliphatic thiocyanate is sensitive to solvent dynamics and specific solvation Maienschein-Cline MG, Londergan CH
10026 - 10043	Kinetic study of heterogeneous reaction of deliquesced NaCl particles with gaseous HNO3 using particle-on-substrate stagnation flow reactor approach Liu Y, Cain JP, Wang H, Laskin A
10044 - 10049	Effect of pressure and solvent on Raman spectra of all-trans-beta-carotene Liu WL, Zheng ZR, Zhu RB, Liu ZG, Xu DP, Yu HM, Wu WZ, Li AH, Yang YQ, Su WH
10050 - 10054	Carbon dioxide evolution in a Belousov-Zhabotinsky type oscillating reaction with acetonedicarboxylic acid Sevcik P, Misicak D, Adamcikova L
10055 - 10061	Vibrational spectra and structure of CH3Cl :(H2O)(2) and CH3Cl :(D2O)(2) complexes. IR matrix isolation and ab initio calculations Dozova N, Krim L, Alikhani ME, Lacome N
10062 - 10067	Quenching of I(P-2(1/2)) by NO2, N2O4, and N2O Kabir MH, Azyazov VN, Heaven MC
10068 - 10074	Ab initio, density functional theory, and continuum solvation model prediction of the product ratio in the S(N)2 reaction of NO2- with CH3CH2Cl and CH3CH2Br in DMSO solution Westphal E, Pliego JR
10075 - 10083	Vacuum ultraviolet (VUV) photoionization of small water clusters Belau L, Wilson KR, Leone SR, Ahmed M
10084 - 10089	2-amino-4-nitroaniline, a known compound with unexpected properties Kolev T, Koleva BB, Spiteller M, Mayer-Figge H, Sheldrick WS
10090 - 10097	Secondary kinetic isotope effect on the photoenolization of triplet O-methylanthrones. A microcanonical transition state theory calculation Moreno M, Lluch JA
10098 - 10104	Mechanism for the degradation of erythromycin A and erythromycin A 2'-ethyl succinate in acidic aqueous solution Hassanzadeh A, Barber J, Morris GA, Gorry PA
10105 - 10110	Experimental and theoretical study of substituent effects of Iodonitrobenzenes Yao L, Du L, Ge MF, Ma CP, Wang DX
10111 - 10118	Femtosecond IR Spectroscopy of peroxycarbonate photodecomposition: S-1-lifetime determines decarboxylation rate Reichardt C, Schroeder J, Schwarzer D
10119 - 10122	Structural correlations in liquid water: A new interpretation of IR spectroscopy Schmidt DA, Milki K
10123 - 10133	Experimental and theoretical charge density distribution in two ternary cobalt(III) complexes of aromatic amino acids Overgaard J, Waller MP, Piltz R, Platts JA, Emseis P, Leverett P, Williams PA, Hibbs DE
10134 - 10138	Mechanism of electron and hole localization in poly(dimethylsilane) radical ions Tachikawa H
10139 - 10143	Theoretical studies of conjugation effects on excited state intramolecular hydrogen-atom transfer reactions in model systems Baiz CR, Dunietz BD
10144 - 10151	Noble gas anions: A theoretical investigation of FNgBN(-) (Ng = He-Xe) Antoniotti P, Borocci S, Bronzolino N, Cecchi P, Grandinetti F
10152 - 10161	Facile S(N)2 reaction in protic solvent: Quantum chemical analysis Oh YH, Ahn DS, Chung SY, Jeon JH, Park SW, Oh SJ, Kim DW, Kil HS, Chi DY, Lee S
10162 - 10165	Optimized geometry of the cluster Gd2O3 and proposed antiferromagnetic alignment of f-electron magnetic moment Ayuela A, March NH, Klein DJ
10166 - 10169	Cooperativity between OH center dot center dot center dot O and CH center dot center dot center dot O hydrogen bonds involving dimethyl sulfoxide-H2O-H2O complex Li QZ, An XL, Gong BA, Chengf JB
10170 - 10170	Interface and molecular electronic structure vs tunneling characteristics of CH3- and CF3-terminated thiol monolayers on Au(III) (vol 110, pg 11396, 2006) Sun Q, Selloni A