Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.113, No.4 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (20 articles)

629 - 632	Onset of Double Helical Structure in Small-Sized Homoleptic Gold Thiolate Clusters Shao N, Pei Y, Gao Y, Zeng XC
633 - 638	Magnetophotoselection in the Spin-Polarized Triplet State Radical-Ion Pair Formed in the Photo-Induced Solvent-Mediated Electron Transfer Reaction from N,N-Diethylaniline to Xanthone in Viscous Solution Ishigaki A, Kobori Y, Murai H
639 - 643	Photoionization and Vibrational Spectroscopy of the Aniline-Methanol Clusters Hu YJ, Bernstein ER
644 - 652	Investigations of Strong Hydrogen Bonding in (ROH)(n)center dot center dot center dot FHF- (n=1, 2 and R = H, CH3, C2H5) Clusters via High-Pressure Mass Spectrometry and Quantum Calculations Nieckarz RJ, Oldridge N, Fridgen TD, Li GP, Hamilton IP, McMahon TB
653 - 667	Proton Environment of Reduced Rieske Iron-Sulfur Cluster Probed by Two-Dimensional ESEEM Spectroscopy Kolling DRJ, Samoilova RI, Shubin AA, Crofts AR, Dikanov SA
668 - 679	Rotational Spectrum of NSF3 in the Ground and v(5)=1 Vibrational States: Observation of Q-Branch Perturbation-Allowed Transitions with Delta(k-l)=0, +/- 3, +/- 6 and Anomalies in the Rovibrational Structure of the v(5)=1 State Macholl S, Mader H, Harder H, Margules L, Drean P, Cosleou J, Demaison J, Pracna P
680 - 689	Hydrogen-Bonding Interaction in Molecular Complexes and Clusters of Aerosol Nucleation Precursors Zhao J, Khalizov A, Zhang RY, McGraw R
690 - 696	Reductive Defluorination of Aqueous Perfluorinated Alkyl Surfactants: Effects of Ionic Headgroup and Chain Length Park H, Vecitis CD, Cheng J, Choi W, Mader BT, Hoffmann MR
697 - 706	The Pyrolytic Reaction of Ketonic Hydrazones from S-Methyl Dithiocarbazate: A Combined Online GC-MS Pyrolysis and DFT Study Jiang KZ, Bian GF, Qiu HY, Pan YJ, Lai GQ
707 - 712	Stabilization of Square Planar Silicon: A New Building Block for Conjugated Si-Containing Systems Szieberth D, Takahashi M, Kawazoe Y
713 - 718	Theoretical Investigation of N-Nitrosodimethylamine Formation from Dimethylamine Nitrosation Catalyzed by Carbonyl Compounds Lv CL, Liu YD, Zhong RG
719 - 725	Computational Methods in Organic Thermochemistry. 4. Enthalpies and Gibbs Energies of Formation of the cis- and trans-Diazenes Bond D
726 - 735	Theoretical Study of the Cyclometalated Iridium(III) Complexes Used as Chromophores for Organic Light-Emitting Diodes Minaev B, Minaeva V, Agren H
736 - 749	Role of Directed van der Waals Bonded Interactions in the Determination of the Structures of Molecular Arsenate Solids Gibbs GV, Wallace AF, Cox DF, Dove PM, Downs RT, Ross NL, Rosso KM
750 - 755	Diammoniosilane: Computational Prediction of the Thermodynamic Properties of a Potential Chemical Hydrogen Storage System Grant DJ, Arduengo AJ, Dixon DA
756 - 766	Computational Prediction of Antibody Binding Sites on Tetracycline Antibiotics: Electrostatic Potentials and Average Local Ionization Energies on Molecular Surfaces Kulshrestha P, Sukumar N, Murray JS, Giese RF, Wood TD
767 - 776	Calculation of Electronic Circular Dichroism Spectra with Time-Dependent Double-Hybrid Density Functional Theory Goerigk L, Grimme S
777 - 787	Heats of Formation and Bond Energies of the H(3-n)BXn Compounds for (X = F, Cl, Br, I, NH2, OH, and SH) Grant DJ, Dixon DA
788 - 789	Comment on "Restricted Geometry Optimization: A Different Way to Estimate Stabilization Energies for Aromatic Molecules of Various Types" Maksic ZB
790 - 790	Semi-classical Treatment of Thermally Activated Electron Transfer in the Intermediate to Strong Electronic Coupling Regime under the Fast Dielectric Relaxation (vol 110, pg 8209, 2006) Zhao Y, Liang WZ, Nakamura H