Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.113, No.7 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (30 articles)

1171 - 1174	Multicomponent Polymeric Film for Red to Green Low Power Sensitized Up-Conversion Monguzzi A, Tubino R, Meinardi F
1175 - 1188	Nonlinear Optical Response and Ultrafast Dynamics in C-60 Zhang GP, Sun X, George TF
1189 - 1198	DFT Comparison of Fe2+ Hydration in the Binding Sites of the Ferroxidase Center of Bullfrog M Ferritin Bacelo DE, Binning RC
1199 - 1209	Dynamics of Si-H-Si Bridges in Agostically Stabilized Silylium Ions Tussupbayev S, Nikonov GI, Vyboishchikov SF
1210 - 1217	Formation of the 1,3,5-Hexatriynyl Radical (C6H((XII)-I-2)) via the Crossed Beams Reaction of Dicarbon (C-2(X-1 Sigma(+)(g)/a(3)II(u))), with Diacetylene (C4H2(X-1 Sigma(+)(g))) Zhang FT, Kim S, Kaiser RI, Mebel AM
1218 - 1224	Excited-State Dynamics of [(1,1'-Biphenyl)-4,4-diyldi-2,1-ethenediyl]bis(dimethylsilane) Liu KL, Lee SJ, Chen IC, Hsu CP, Yeh MY, Luh TY
1225 - 1230	Vacuum-Ultraviolet Photoionization Measurement and ab Initio Calculation of the Ionization Energy of Gas-Phase SiO2 Kostko O, Ahmed M, Metz RB
1231 - 1234	Oscillations and Mechanistic Analysis of the Chlorite-Sulfide Reaction in a Continuous-Flow Stirred Tank Reactor Mao SC, Gao QY, Wang H, Zheng JH, Epstein IR
1235 - 1243	Synthesis and Detailed Photophysical Studies of Pyrene-Based Molecules Substituted with Extended Chains Moustafa RM, Degheili JA, Patra D, Kaafarani BR
1244 - 1249	Effect of Chain Length on the Photophysical Properties of Pyrene-Based Molecules Substituted with Extended Chains Degheili JA, Moustafa RM, Patra D, Kaafarani BR
1250 - 1254	Infrared Spectrum of Nitrobenzene Anion in Solid Argon Ma RH, Yuan DM, Chen MH, Zhou MF
1255 - 1258	Solid-State Photochromic Properties and Mechanism of 1-Phenyl-3-methyl-4-(3-chlorobenzal)-5-hydroxypyrazole 4-Methylthiosemicarbazone Guo JX, Liu L, Jia DZ, Wang JH, Xie XL
1259 - 1267	Electrochemical Oxidation of Ferrocene: A Strong Dependence on the Concentration of the Supporting Electrolyte for Nonpolar Solvents Bao DD, Millare B, Xia W, Steyer BG, Gerasimenko AA, Ferreira A, Contreras A, Vullev VI
1268 - 1277	Chemical Changes in Liquid Benzene Multiply Shock Compressed to 25 GPa Root S, Gupta YM
1278 - 1286	Temperature-Dependent Kinetics of the Vinyl Radical (C2H3) Self-Reaction Ismail H, Abel PR, Green WH, Fahr A, Jusinski LE, Knepp AM, Zador J, Meloni G, Selby TM, Osborn DL, Taatjes CA
1287 - 1294	Free-Radical-Induced Oxidative and Reductive Degradation of Fibrate Pharmaceuticals: Kinetic Studies and Degradation Mechanisms Razavi B, Song WH, Cooper WJ, Greaves J, Jeong J
1295 - 1307	Depth-Dependent Dissociation of Nitric Acid at an Aqueous Surface: Car-Parrinello Molecular Dynamics Wang SZ, Bianco R, Hynes JT
1308 - 1317	Structure, Bonding, and Relative Stability of the Ground and Low-Lying Electronic States of CuO2. The Role of Exact Exchange Guell M, Luis JM, Rodriguez-Santiago L, Sodupe M, Sola M
1318 - 1326	Theoretical Investigation on Structures, Densities, Detonation Properties, and the Pyrolysis Mechanism of the Derivatives of HNS Wang GX, Shi CH, Gong XD, Xiao HM
1327 - 1334	Implementation of a DFT-Based Method for the Calculation of the Zeeman g-Tensor in Periodic Systems with the Use of Numerical and Slater-Type Atomic Orbitals Kadantsev ES, Ziegler T
1335 - 1342	Understanding the Role of Intra- and Intermolecular Interactions in the Formation of Single- and Double-Helical Structures of Aromatic Oligoamides: A Computational Study Dong H, Hua SG, Li SH
1343 - 1352	Ab Initio Investigation of Dissolution Mechanisms in Aluminosilicate Minerals Morrow CP, Nangia S, Garrison BJ
1353 - 1359	Density Functional Theory Studies of Au-n(+)(CH3OH)(m) (n=3, 5, m=1-5) Complexes Li YC, Yang CL, Sun MY, Li XX, An YP, Wang MS, Ma XG, Wang DH
1360 - 1367	Dynamical Simulations of Polaron Transport in Conjugated Polymers with the Inclusion of Electron-Electron Interactions Ma HB, Schollwock U
1368 - 1376	Inverted Cucurbit[n]urils: Density Functional Investigations on the Electronic Structure, Electrostatic Potential, and NMR Chemical Shifts Pinjari RV, Gejji SP
1377 - 1383	Suitability of Double Hybrid Density Functionals and Their Dispersion-Corrected Counterparts in Producing the Potential Energy Curves for CO2-Rg (Rg: He, Ne, Ar and Kr) Systems Seal P, Chakrabarti S
1384 - 1389	Average Local Ionization Energies in the Hartree-Fock and Kohn-Sham Theories Bulat FA, Levy M, Politzer P
1390 - 1396	On the Principle of Spin Potential Equalization Guerra D, Contreras R, Cedillo A, Aizman A, Fuentealba P
1397 - 1402	New Molecular Species of Potential Interest to Atmospheric Chemistry: Isomers on the [H, S-2, Br] Potential Energy Surface de Oliveira AGS, Aoto YA, Ornellas FR
1403 - 1403	The Relation between Bond Lengths and Dissociation Energies of Carbon-Carbon Bonds (vol 107, pg 898, 2003) Zavitsas AA