Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.113, No.44 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (36 articles)

12045 - 12048	The C7H5 Fulvenallenyl Radical as a Combustion Intermediate: Potential New Pathways to Two- and Three-Ring PAHS da Silva G, Bozzelli JW
12049 - 12055	Effects of Molecule Stabilization Energies on Radical Reactions: G3 and G3(MP2) Model Chemistries Applied to Benzylic Systems Rogers DW, Zavitsas AA, Matsunaga N
12056 - 12062	Ionization and Fragmentation of Alkylphenols by 0.8-1.5 mu m Femtosecond Laser Pulses Tanaka M, Kawaji M, Yatsuhashi T, Nakashima N
12063 - 12070	Comparative Theoretical Study of Rotamerism and Excited State Intramolecular Proton Transfer of 2-(2'-Hydroxyphenyl)benzimidazole, 2-(2'-Hydroxyphenyl)imidazo[4,5-b]pyridine, 2-(2'-Hydroxyphenyl)imidazo[4,5-c] pyridine and 8-(2'-Hydroxyphenyl)purine Chipem FAS, Krishnamoorthy G
12071 - 12078	Ab initio Investigation of Pt Dimers on Cu(001) Surface Pal G, Lefkidis G, Hubner W
12079 - 12087	Silicon-Bismuth and Germanium-Bismuth Clusters of High Stability Zdetsis AD
12088 - 12093	Intersystem Crossing to Excited Triplet State of Aza Analogues of Nucleic Acid Bases in Acetonitrile Kobayashi T, Kuramochi H, Harada Y, Suzuki T, Ichimura T
12094 - 12104	Reactive Molecular Dynamics of Hypervelocity Collisions of PETN Molecules Landerville AC, Oleynik II, White CT
12105 - 12114	Ultrafast Excitation of Molecular Adsorbates on Flash-Heated Gold Surfaces Carter JA, Wang ZH, Fujiwara H, Dlott DD
12115 - 12121	Size- and Temperature-Dependent Magnetic Response of Molecular Cage Clusters: Manganese-Doped Tin Clusters Rohrmann U, Schafer S, Schafer R
12122 - 12133	Measurement of Electron-Electron Interactions and Correlations Using Two-Dimensional Electronic Double-Quantum Coherence Spectroscopy Kim J, Huxter VM, Curutchet C, Scholes GD
12134 - 12141	Infrared Spectroscopy of Phenol-(H2O)(n > 10): Structural Strains in Hydrogen Bond Networks of Neutral Water Clusters Mizuse K, Hamashima T, Fujii A
12142 - 12156	Double Orthogonal Sample Design Scheme and Corresponding Basic Patterns in Two-Dimensional Correlation Spectra for Probing Subtle Spectral Variations Caused by Intermolecular Interactions Zhang CF, Huang K, Li HZ, Chen J, Liu SX, Zhao Y, Wang DJ, Xu YZ, Wu JG, Noda I, Ozaki Y
12157 - 12162	Gas Phase Elimination Kinetics of Methyl Mandelate: Experimental and DFT Studies Rotinov A, Escalante L, Ramirez B, Pereira D, Cordova T, Chuchani G
12163 - 12170	Reactions of Group 14 Metal Atoms with Acetylene: A Matrix Isolation Infrared Spectroscopic and Theoretical Study Teng YL, Xu Q
12171 - 12178	X-ray Absorption and Emission Spectroscopy of Cr-III (Hydr)Oxides: Analysis of the K-Pre-Edge Region Frommer J, Nachtegaal M, Czekaj I, Weng TC, Kretzschmar R
12179 - 12186	Circular Dichroism of Chiral 1,8,15,22-Tetra(alkoxyl)phthalocyaninato Lead and Yttrium Complexes: Time-Dependent Density Functional Theory Calculations Zhang YX, Jiang JZ
12187 - 12192	500 nm System of RbCs: Assignments and Intensity Anomalies Lee Y, Yoon Y, Lee S, Kim B
12193 - 12198	Pulse Radiolysis Studies on the Temperature-Dependent Spectrum and the Time-Dependent Yield of Solvated Electron in Propane-1,2,3-triol Lin MZ, Fu HY, Lampre I, de Waele V, Muroya Y, Yan Y, Yamashita S, Katsumura Y, Mostafavi M
12199 - 12206	Kinetic Study of the 2-Naphthyl (C10H7) Radical Reaction with C2H2 Park J, Nguyen HMT, Xu ZF, Lin MC
12207 - 12214	Dielectric Relaxation in Dimethyl Sulfoxide/Water Mixtures Studied by Microwave Dielectric Relaxation Spectroscopy Lu ZJ, Manias E, Macdonald DD, Lanagan M
12215 - 12224	Time-Resolved Resonance Raman Study of the Effect of pH on the Photoreactions of 3-Benzoylpyridine in Aqueous Solution Li MD, Du Y, Yeung CS, Phillips DL
12225 - 12232	Mass-Dependent and Mass-Independent Isotope Effects of Zinc in a Redox Reaction Fujii T, Moynier F, Uehara A, Abe M, Yin QZ, Nagai T, Yamana H
12233 - 12242	The Chemistry of Drying an Aqueous Solution of Salts Takenaka N, Takayama K, Ojiro N, Shimazaki W, Ohira K, Soda H, Suzue T, Sadanaga Y, Bandow H, Maeda Y
12243 - 12248	Decolorization of Dye Pollutions by Manganese Complexes with Rigid Cross-Bridged Cyclam Ligands and Its Mechanistic Investigations Xu AH, Xiong H, Yin GC
12249 - 12255	Prediction of Iron-Isotope Fractionation Between Hematite (alpha-Fe2O3) and Ferric and Ferrous Iron in Aqueous Solution from Density Functional Theory Rustad JR, Dixon DA
12256 - 12259	Predicting Adsorption of Organic Chemicals at the Air-Water Interface Goss KU
12260 - 12275	Stepwise Hydration of Protonated Carbonic Acid: A Theoretical Study Prakash M, Subramanian V, Gadre SR
12276 - 12284	Relativistic Interactions in the Radical Pair Model of Magnetic Field Sense in CRY-1 Protein of Arabidopsis thaliana Izmaylov AF, Tully JC, Frisch MJ
12285 - 12294	Vibration-Rotation-Tunneling Levels of the Water Dimer from an ab Initio Potential Surface with Flexible Monomers Leforestier C, van Harrevelt R, van der Avoird A
12295 - 12303	Theoretical Study of Nonlinear Optical Properties of "Parallel Connection" Chromophores Containing Parallel Nonconjugated D-pi-A units Zhang CZ, Cao H, Im C, Lu GY
12304 - 12310	Aromaticity Changes along the Lowest-Triplet-State Path for C=C Bond Rotation of Annulenyl-Substituted Olefins Probed by the Electron Localization Function Villaume S, Ottosson H
12311 - 12321	Ab Initio Molecular Orbital Study of the Insertion of H-2 into POSS Compounds 2: The Substituent Effect and Larger Cages Kudo T
12322 - 12327	Toward a Combined DFT/QTAIM Description of Agostic Bonds: The Critical Case of a Nb(III) Complex Tognetti V, Joubert L, Cortona P, Adamo C
12328 - 12336	Mass-Analyzed Threshold Ionization Spectroscopy of 2-Phenylethanol: Probing of Conformational Changes Caused by Ionization Georgiev S, Karaminkov R, Chervenkov S, Delchev V, Neusser HJ
12337 - 12338	Comment on "Assessing the Efficacy of Nonsteroidal Anti-Inflammatory Drugs Through the Quantum Computation of Molecular Ionization Energies" Bensasson RV, Berthier G, Zoote V