Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.115, No.9 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (30 articles)

1453 - 1461	CASPT2 Study of the Potential Energy Surface of the HSO2 System Garrido JD, Ballester MY, Orozco-Gonzalez Y, Canuto S
1462 - 1471	Kinetics of Nonequilibrium Electron Transfer in Photoexcited Ruthenium(II)-Cobalt(III) Complexes Feskov SV, Kichigina A, Ivanov AI
1472 - 1485	Structures and Energetics of Neutral and Ionic Silicon-Germanium Clusters: Density Functional Theory and Coupled Cluster Studies Wang YS, Chao SD
1486 - 1492	Quasi-classical Trajectory Study of the Ne + H-2(+) -> NeH+ + H Reaction Based on Global Potential Energy Surface Xiao J, Yang CL, Tong XF, Wang MS, Ma XG
1493 - 1499	Computational Study on the Anomalous Fluorescence Behavior of Isoflavones Beyhan SM, Gotz AW, Ariese F, Visscher L, Gooijer C
1500 - 1507	Rotational State Specific Dissociation Dynamics of HOD -> H plus OD via Two-Photon Excitation to the (C)over-tilde Electronic State Cheng LN, Yuan KJ, Cheng YA, Guo Q, Wang T, Dai DX, Yang XM
1508 - 1515	Ring-Closing and Dehydrogenation Reactions of Highly Excited cis-Stilbene: Ultrafast Spectroscopy and Structural Dynamics Bao J, Minitti MP, Weber PM
1516 - 1520	Nanoalloy Formation of Ta-containing Trimetallic Small Clusters Miyajima K, Himeno H, Yamada A, Yamamoto H, Mafune F
1521 - 1537	Dual Fluorescence and Ultrafast Intramolecular Charge Transfer with 6-N,N-Dialkylaminopurines. A Two-State Model Demeter A, Druzhinin SI, Kovalenko SA, Senyushkina TA, Zachariasse KA
1538 - 1546	Dynamics of Cl (P-2(j)) Atom Formation in the Photodissociation of Fumaryl Chloride (ClCO - CH = CH - COCl) at 235 nm: A Resonance Enhanced Multiphoton Ionization (REMPI) Time-of-Flight (TOF) Study Kawade M, Saha A, Upadhyaya HP, Kumar A, Naik PD, Bajaj PN
1547 - 1555	Ab Initio Based Surface-Hopping Dynamics Study on Ultrafast Internal Conversion in Cyclopropanone Cui GL, Fang WH
1556 - 1578	Global Sensitivity Analysis of Chemical-Kinetic Reaction Mechanisms: Construction and Deconstruction of the Probability Density Function Davis MJ, Skodje RT, Tomlin AS
1579 - 1592	Synthesis and Optical Properties of Triphenylene-Based Dendritic Donor Perylene Diimide Acceptor Systems Bagui M, Dutta T, Chakraborty S, Melinger JS, Zhong HZ, Keightey A, Peng ZH
1593 - 1601	Pyrolysis of n-Heptane: Experimental and Theoretical Study Yuan T, Zhang LD, Zhou ZY, Xie MF, Ye LL, Qi F
1602 - 1608	Theoretical Investigations on Removal Reactions of Ethenol by H Atom Rao HB, Zeng XY, He H, Li ZR
1609 - 1616	Development and Applications of Fluorescent Indicators for Mg2+ and Zn2+ Wang LN, Qin WW, Tang XL, Dou W, Liu WS
1617 - 1626	Excited-State Intermolecular Proton Transfer of Firefly Luciferin IV. Temperature and pH Dependence Erez Y, Presiado I, Gepshtein R, Huppert D
1627 - 1633	The Effects of Photochemical and Mechanical Damage on the Excited State Dynamics of Charge-Transfer Molecular Crystals Composed of Tetracyanobenzene and Aromatic Donor Molecules Dillon RJ, Bardeen CJ
1634 - 1649	Photoelectron Spectroscopic Study of the Oxyallyl Diradical Ichino T, Villano SM, Gianola AJ, Goebbert DJ, Velarde L, Sanov A, Blanksby SJ, Zhou X, Hrovat DA, Borden WT, Lineberger WC
1650 - 1657	C-13 NMR Studies of Hydrocarbon Guests in Synthetic Structure H Gas Hydrates: Experiment and Computation Lee JW, Lu HL, Moudrakovski IL, Ratcliffe CI, Ohmura R, Alavi S, Ripmeester JA
1658 - 1666	Kinetic and Mechanistic Study of the Reactions of Atomic Chlorine with CH3CH2Br, CH3CH2CH2Br, and CH2BrCH2Br Laine PL, Nicovich JM, Wine PH
1667 - 1675	Thermodynamics and Kinetics of Imidazole Formation from Glyoxal, Methylamine, and Formaldehyde: A Computational Study Kua J, Krizner HE, De Haan DO
1676 - 1685	Cation Environment of BaCeO3-Based Protonic Conductors II: New Computational Models Cammarata A, Emanuele A, Martorana A, Duca D
1686 - 1700	Study of the Structural and Electronic Properties of Valproic Acid and New Derivatives Used As Anticonvulsant Agents Comelli NC, Lobayan RM, Castro EA, Jubert AH
1701 - 1712	Theoretical Study of Isomerization and Dissociation Transition States of C3H5O Radical Isomers: Ab Initio Characterization of the Critical Points and Statistical Transition-State Theory Modeling of the Dynamics FitzPatrick B
1713 - 1720	Calculations of Bond Dissociation Energies. New Select Applications of an Old Method Boudreaux EA
1721 - 1733	Assessment of Periodic and Cluster-in-Vacuo Models for First Principles Calculation of EPR Parameters of Paramagnetic Defects in Crystals: Rh2+ Defects in NaCl as Case Study Sakhabutdinova N, Van Yperen-De Deyne A, Pauwels E, Van Speybroeck V, Vrielinck H, Callens F, Waroquier M
1734 - 1742	Theoretical Modeling of Peptide alpha-Helical Circular Dichroism in Aqueous Solution Kaminsky J, Kubelka J, Bour P
1743 - 1753	Tautomerism and Thermal Decomposition of Tetrazole: High-Level ab Initio Study Kiselev VG, Cheblakov PB, Gritsan NP
1754 - 1762	Substituent Effects on the Properties Related to Detonation Performance and Sensitivity for 2,2',4,4',6,6'-Hexanitroazobenzene Derivatives Liu Y, Gong XD, Wang LJ, Wang GX, Xiao HM