Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.118, No.28 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (28 articles)

5125 - 5134	Coherent and Homogeneous Intramolecular Charge-Transfer Dynamics of 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6), a Rigid Analogue of DMABN Park M, Im D, Rhee YH, Joo T
5135 - 5148	The Reinvestigation of the Kinetics of the Metathesis Reactions t-C4H9 center dot + HBr (HI) -> i-C4H10 + Br-center dot (I-center dot) and of the t-C4H9 center dot Free Radical Thermochemistry Leplat N, Rossi MJ
5149 - 5155	Theoretical Study of the Gas-Phase Reactions of NO3 Radical with a Series of trans-2-Unsaturated Aldehydes: From Acrolein to trans-2-Octenal Rayez MT, Rayez JC, Kerdouci J, Picquet-Varrault B
5156 - 5163	Production of B Atoms and BH Radicals from B2H6/He/H-2 Mixtures Activated on Heated W Wires Umemoto H, Kanemitsu T, Tanaka A
5164 - 5169	Nuclear Quadrupole Coupling Constants of Two Chemically Distinct Nitrogen Atoms in 4-Aminobenzonitrile Betz T, Zinn S, Graneek JB, Schnell M
5170 - 5177	Effects of TIPS-Functionalization and Perhalogenation on the Electronic, Optical, and Transport Properties of Angular and Compact Dibenzochrysene Cardia R, Malloci G, Mattoni A, Cappellini G
5178 - 5188	Photophysical and Electrochemical Properties of Thienylnaphthalimide Dyes with Excellent Photostability Inari T, Yamano M, Hirano A, Sugawa K, Otsuki J
5189 - 5195	Optical Spectroscopy of Graphene Quantum Dots: The Case of C132 Riesen H, Wiebeler C, Schumacher S
5196 - 5203	Intramolecular Charge- and Energy-Transfer Rates with Reduced Modes: Comparison to Marcus Theory for Donor-Bridge-Acceptor Systems Yang XM, Bittner ER
5204 - 5211	Electronic Structure and Chemical Bonding of a Highly Stable and Aromatic Auro-Aluminum Oxide Cluster Lopez GV, Jian T, Li WL, Wang LS
5212 - 5227	The Predictive Power of the Annellation Theory: The Case of the C32H16 Benzenoid Polycyclic Aromatic Hydrocarbons Ona-Ruales JO, Ruiz-Morales Y
5228 - 5237	Symmetry- and Solvent-Dependent Photophysics of Fluorenes Containing Donor and Acceptor Groups Stewart DJ, Dalton MJ, Swiger RN, Fore JL, Walker MA, Cooper TM, Haley JE, Tan LS
5238 - 5247	Solvation and Protonation of Coumarin 102 in Aqueous Media: A Fluorescence Spectroscopic and Theoretical Study Hessz D, Hegely B, Kallay M, Vidoczy T, Kubinyi M
5248 - 5255	Two-Color Two-Photon Excited Fluorescence of 2-Methyl-5-tert-butyl-p-quaterphenyl (DMQ): Ab Initio Calculations and Experimental Determination of the Molecular Parameters Herbrich S, Gericke KH, Smolin AG, Vasyutinskii OS
5256 - 5262	Examining the Amine Functionalization in Dicarboxylates: Photoelectron Spectroscopy and Theoretical Studies of Aspartate and Glutamate Deng SHM, Hou GL, Kong XY, Valiev M, Wang XB
5263 - 5271	Photochemical Properties of trans-1-Chloro-3,3,3-trifluoropropene (trans-CHCl=CHCF3): OH Reaction Rate Constant, UV and IR Absorption Spectra, Global Warming Potential, and Ozone Depletion Potential Orkin VL, Martynova LE, Kurylo MJ
5272 - 5278	Experimental and Computational Investigation on the Gas Phase Reaction of Ethyl Formate with Cl Atoms Balaganesh M, Dash MR, Rajakumar B
5279 - 5288	Atmospheric Gas Phase Chemistry of CH2=NH and HNC. A First-Principles Approach Bunkan AJC, Tang YZ, Sellevag SR, Nielsen CJ
5289 - 5303	Infrared Spectra and Electronic Structure Calculations for NN Complexes with U, UN, and NUN in Solid Argon, Neon, and Nitrogen Andrews L, Wang XF, Gong Y, Kushto GP
5304 - 5315	Theoretical and Spectroscopic Analysis of N,N'-Diphenylurea and N,N'-Dimethyl-N,N'-diphenylurea Conformations Galan JF, Germany E, Pawlowski A, Strickland L, Galinato MGI
5316 - 5322	Benchmarking Ab Initio Binding Energies of Hydrogen-Bonded Molecular Clusters Based on FTIR Spectroscopy Bork N, Du L, Reiman H, Kurten T, Kjaergaard HG
5323 - 5332	Ionization-Induced Tautomerization in Cytosine and Effect of Solvation Das T, Ghosh D
5333 - 5342	Novel Recipe for Double-Hybrid Density Functional Computations of Linear and Nonlinear Polarizabilities of Molecules and Nanoclusters Alipour M
5343 - 5348	Solvent Effects on Cyanine Derivatives: A PCM Investigation Jacquemin D, Chibani S, Le Guennic B, Mennucci B
5349 - 5354	Pressure Dependence of the Forward and Backward Rates of 9-tert-Butylanthracene Dewar Isomerization Tong F, Cruz CD, Jezowski SR, Zhou XQ, Zhu LY, Al-Kaysi RO, Chronister EL, Bardeen CJ
5355 - 5357	Comparison of ReaxFF, DFTB, and DFT for Phenolic Pyrolysis. 2. Elementary Reaction Paths (vol 117, pg 11126, 2013) Qi T
5355 - 5357	Comparison of ReaxFF, DFTB, and DFT for Phenolic Pyrolysis. 1. Molecular Dynamics Simulations (Vol 117, pg 11115, 2013) Qi TT, Bauschlicher CW, Lawson JW, Desai TG, Reed EJ, Lenfant A
5358 - 5358	Hot Band Spectroscopy of the Formyl Cation, (HCO+)-C-12-O-16 (vol 117, pg 9899, 2013) Neese CF, Kreynin PS, Oka T