Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.113, No.38 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (33 articles)

10143 - 10145	Unexpected Preferential Dehydration of Artemisinin in Ionic Liquids Sanders MW, Wright L, Tate L, Fairless G, Crowhurst L, Bruce NC, Walker AJ, Hembury GA, Shimizu S
10146 - 10159	An Assessment of Theoretical Methods for Nonbonded Interactions: Comparison to Complete Basis Set Limit Coupled-Cluster Potential Energy Curves for the Benzene Dimer, the Methane Dimer, Benzene-Methane, and Benzene-H2S Sherrill CD, Takatani T, Hohenstein EG
10160 - 10166	Spectroscopy and Photophysics of Low-Lying Excited Singlet States of alpha,omega-Dithienylbutadiene and alpha,omega-Dithienylethylene Vapors Itoh T, Numata Y
10167 - 10173	Structural Characterization of the (Methanol)(4) Potential Energy Surface David J, Guerra D, Restrepo A
10174 - 10183	Imaging the State-Specific Vibrational Predissociation of the Ammonia-Water Hydrogen-Bonded Dimer Mollner AK, Casterline BE, Ch'ng LC, Reisler H
10184 - 10188	Time-Resolved Dynamics of the OH Stretching Vibration in Aqueous NaCl Hydrate Pandelov S, Pilles BM, Werhahn JC, Iglev H
10189 - 10195	Mixed Quantum-Classical Study of Nonadiabatic Dynamics in the O(P-3(2,1,0),D-1(2)) + H-2 Reaction Li B, Han KL
10196 - 10201	Structural Behavior of Alcohol-1,4-Dioxane Mixtures through Dielectric Properties Using TDR Kumbharkhane AC, Shinde MN, Mehrotra SC, Oshiki N, Shinyashiki N, Yagihara S, Sudo S
10202 - 10210	The Influence of Internal Charge Transfer on Nonradiative Decay in Substituted Terthiophenes Huss AS, Pappenfus T, Bohnsack J, Burand M, Mann KR, Blank DA
10211 - 10218	Photophysics of the pi,pi* and n,pi* States of Thymine: MS-CASPT2 Minimum-Energy Paths and CASSCF on-the-Fly Dynamics Asturiol D, Lasorne B, Robb MA, Blancafort L
10219 - 10223	Formation of Active Catalysts in the System: Chlorocuprates-CCl4-n-C10H22 Golubeva EN, Kharitonov DN, Kochubey DI, Ikorskii VN, Kriventsov VV, Kokorin AI, Stoetsner J, Bahnemann DW
10224 - 10230	Effect of Stacking Interactions on the Spectra of the Monomer of PFBT: A Theoretical Study Wang J, Gu JD, Leszczynski J
10231 - 10237	Atmospheric Chemistry of BrO Radicals: Kinetics of the Reaction with C2H5O2 Radicals at 233-333 K Sakamoto Y, Yamano D, Nakayama T, Hashimoto S, Kawasaki M, Wallington TJ, Miyano S, Tonokura K, Takahashi K
10238 - 10240	Revisiting the Laser Dye Styryl-13 As a Reference Near-Infrared Fluorophore: Implications for the Photoluminescence Quantum Yields of Semiconducting Single-Walled Carbon Nanotubes Stuerzl N, Lebedkin S, Kappes MM
10241 - 10259	Thermal Decomposition of NH2OH and Subsequent Reactions: Ab Initio Transition State Theory and Reflected Shock Tube Experiments Klippenstein SJ, Harding LB, Ruscic B, Sivaramakrishnan R, Srinivasan NK, Su MC, Michael JV
10260 - 10263	ortho-Substituted (Aryl)(3-nitrobenzo[b]thiophen-2-yl)amines: Study of the Electrochemical Behavior Cosimelli B, Lanza CZ, Scavetta E, Severi E, Spinelli D, Stenta M, Tonelli D
10264 - 10278	Decomposition of Methylbenzyl Radicals in the Pyrolysis and Oxidation of Xylenes da Silva G, Moore EE, Bozzelli JW
10279 - 10283	Identification of the Jet-Cooled 1-Indanyl Radical by Electronic Spectroscopy Troy TP, Nakajima M, Chalyavi N, Clady RGCR, Nauta K, Kable SH, Schmidt TW
10284 - 10290	Theoretical Investigation of the Reaction between Carbonyl Oxides and Ammonia Jorgensen S, Gross A
10291 - 10298	Electronic Structures of Bis- and Monothiophene Complexes with Fe, Co, Ni: A Density Functional Theory Study Ding YQ, He MX, Niu YZ, Wang DX, Cui Y, Feng SY
10299 - 10305	Exploring the Surface Reactivity of 3d Metal Endofullerenes: A Density-Functional Theory Study Estrada-Salas RE, Valladares AA
10306 - 10320	Red-Shifted Hydrogen Bonds and Blue-Shifted van der Waals Contact in the Standard Watson-Crick Adenine-Thymine Base Pair Zhou PP, Qiu WY
10321 - 10326	Application of Dispersion-Corrected Density Functional Theory Lill SON
10327 - 10334	Characterizing Complexes with F-Li center dot center dot center dot N, H-Li center dot center dot center dot N, and CH3Li center dot center dot center dot N Lithium Bonds: Structures, Binding Energies, and Spin-Spin Coupling Constants Del Bene JE, Alkorta I, Elguero J
10335 - 10342	Correlations of the Stability, Static Dipole Polarizabilities, and Electronic Properties of Yttrium Clusters Li XB, Wang HY, Lv R, Wu WD, Luo JS, Tang YJ
10343 - 10350	On the Origin of Small Band Gaps in Alternating Thiophene-Thienopyrazine Oligomers Karsten BP, Viani L, Gierschner J, Cornil J, Janssen RAJ
10351 - 10358	The Contributions of Through-Bond Interactions to the Singlet-Triplet Energy Difference in 1,3-Dehydrobenzene Wei HY, Hrovat DA, Mo YR, Hoffmann R, Borden WT
10359 - 10366	Effects of Substituent and Leaving Group on the Gas-Phase S(N)2 Reactions of Phenoxides with Halomethanes: A DFT Investigation Li QG, Xue Y
10367 - 10375	Counterintuitive Substituent Effect of the Ethynyl Group in Ion-pi Interactions Lucas X, Quinonero D, Frontera A, Deya PM
10376 - 10384	Accurate Reaction Enthalpies and Sources of Error in DFT Thermochemistry for Aldol, Mannich, and alpha-Aminoxylation Reactions Wheeler SE, Moran A, Pieniazek SN, Houk KN
10385 - 10390	Energetics and Vibrational Analysis of Methyl Salicylate Isomers Massaro RD, Dai YF, Blaisten-Barojas E
10391 - 10396	Bond Paths Are Not Chemical Bonds Bader RFW
10397 - 10404	Molecular Interactions in 1-Ethyl-3-methylimidazolium Acetate Ion Pair: A Density Functional Study Dhumal NR, Kim HJ, Kiefer J