Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.116, No.43 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (19 articles)

10467 - 10479	Combined Crossed Beam and Theoretical Studies of the N(D-2) + C2H4 Reaction and Implications for Atmospheric Models of Titan Balucani N, Skouteris D, Leonori F, Petrucci R, Hamberg M, Geppert WD, Casavecchia P, Rosi M
10480 - 10487	Multistructural Variational Transition State Theory: Kinetics of the Hydrogen Abstraction from Carbon-2 of 2-Methyl-1-propanol by Hydroperoxyl Radical Including All Structures and Torsional Anharnnonicity Xu XF, Yu T, Papajak E, Truhlar DG
10488 - 10495	Molecular Dynamics Simulations to Examine Structure, Energetics, and Evaporation/Condensation Dynamics in Small Charged Clusters of Water or Methanol Containing a Single Monatomic Ion Daub CD, Cann NM
10496 - 10506	Modulation of the Second-Order Nonlinear Optical Properties of the Two-Dimensional Pincer Ru(II) Complexes: Substituent Effect and Proton Abstraction Switch Wang CH, Ma NN, Sun XX, Sun SL, Qiu YQ, Liu PJ
10507 - 10517	Fifth Stereoactive Orbital on Silicon: Relaxation of the Lowest Singlet Excited State of Octamethyltrisilane MacLeod MK, Kobr L, Michl J
10518 - 10528	Molecular Model of the Ring-Opening and Ring-Closure Reaction of a Fluorinated Indolylfulgide Nenov A, Schreier WJ, Koller FO, Braun M, de Vivie-Riedle R, Zinth W, Pugliesi I
10529 - 10538	Electronic Excitation to Singlet States of 1,3-C4F6, c-C4F6 and 2-C4F6 by Electron Impact - Electron Energy-Loss Spectroscopy and ab lnitio Calculations Limao-Vieira P, Anzai K, Kato H, Hoshino M, da Silva FF, Duflot D, Mogi D, Tanioka T, Tanaka H
10539 - 10547	Tunneling Lifetime of the ttc/VIp Conformer of Glycine in Low-Temperature Matrices Bazso G, Magyarfalvi G, Tarczay G
10548 - 10558	Photophysics of Diphenylacetylene: Light from the "Dark State" Saltiel J, Kumar VKR
10559 - 10565	Optical Properties of Gallium Oxide Clusters from First-Principles Callculations Rahane AB, Deshpande MD, Chakraborty S
10566 - 10573	Theoretical Study on Water-Mediated Excited-State Multiple Proton Transfer in 7-Azaindole: Significance of Hydrogen Bond Rearrangement Yu XF, Yamazaki S, Taketsugu T
10574 - 10588	Optical Spectra and Energy Levels Analysis of the 4f(N) Ions Doped into Ba2YCl7 Karbowiak M, Cichos J, Rudowicz C
10589 - 10596	Electronic Structure and Spectra of the RbAr van der Waals System Including Spin-Orbit Interaction Dinflaoui J, Berriche H, Herbane M, AlSehimi AG, Heaven MC
10597 - 10606	The Effect of Side-Chain Length on the Solid-State Structure and Optoelectronic Properties of Fluorene-alt-Benzothiadiazole Based Conjugated Polymers-A DFT Study Eslamibidgoli MJ, Lagowski JB
10607 - 10614	Role of Hyperconjugation in the 1,2-Shift Reactivity of Bicyclo[2.1.0]pentane and Cyclopropane Radical Cations: A Computational Study Blancafort L, Williams F
10615 - 10620	Shielding and Indirect Spin-Spin Coupling Tensors in the Presence of a Heavy Atom: An Experimental and Theoretical Study of Bis(phenylethynyl)mercury Gryff-Keller A, Kraska-Dziadecka A, Molchanov S, Wodynski A
10621 - 10628	Quantum Chemical Investigation of Attractive Non-Covalent Interactions between Halomethanes and Rare Gases McAllister LJ, Bruce DW, Karadakov PB
10629 - 10637	Predicting the Localized/Delocalized Character of Mixed-Valence Diquinone Radical Anions. Toward the Right Answer for the Right Reason Renz M, Kaupp M
10638 - 10645	Correlation between Hydrogen Bonding Association Constants in Solution with Quantum Chemistry Indexes: The Case of Successive Association between Reduced Species of Quinones and Methanol Galano A, Gomez M, Gonzalez FJ, Gonzalez I