Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.119, No.22 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (40 articles)

5515 - 5523	Distance Dependence of Electron Spin Polarization during Photophysical Quenching of Excited Naphthalene by TEMPO Radical Rane V, Das R
5524 - 5533	Stabilization of the Simplest Criegee Intermediate from the Reaction between Ozone and Ethylene: A High-Level Quantum Chemical and Kinetic Analysis of Ozonolysis Nguyen TL, Lee H, Matthews DA, McCarthy MC, Stanton JF
5534 - 5544	Effect of Molecular Diffusion on the Spin Dynamics of a Micellized Radical Pair in Low Magnetic Fields Studied by Monte Carlo Simulation Miura T, Murai H
5545 - 5552	Reactivity of Oxygen Deficient Cerium Oxide Clusters with Small Gaseous Molecules Nagata T, Miyajima K, Hardy RA, Metha GF, Mafune F
5553 - 5565	Theoretical Study on the Dynamics of the Reaction of HNO((1)A') with HO2((2)A") Mousavipour SH, Asemani SS
5566 - 5578	Reactivity of Hydrated Monovalent First Row Transition Metal Ions [M(H2O)(n)](+), M = Cr, Mn, Fe, Co, Ni, Cu, and Zn, n < 50, Toward Acetonitrile Herber I, Tang WK, Wong HY, Lam TW, Siu CK, Beyer MK
5579 - 5586	Multiedge X-ray Absorption Spectroscopy Part II: XANES Analysis of Bridging and Terminal Chlorides in Hexachlorodipalladate(II) Complex Barton RL, Gardenghi DJ, Stolte WC, Szilagyi RK
5587 - 5596	Fast Triplet Formation via Singlet Exciton Fission in a Covalent Perylenediimide-beta-apocarotene Dyad Aggregate Mauck CM, Brown KE, Horwitz NE, Wasielewski MR
5597 - 5606	Expanding Lone Pair...pi Interactions to Nonaromatic Systems and Nitrogen Bases: Complexes of C2F3X (X = F, Cl, Br, I) and TMA-d(9) Geboes Y, De Proft F, Herreboutt WA
5607 - 5617	Surface-Hopping Dynamics Simulations of Malachite Green: A Triphenylmethane Dye Xie BB, Xia SH, Liu LH, Cui GL
5618 - 5625	Ultrafast Intramolecular Electron and Proton Transfer in Bis(imino)isoindole Derivatives Driscoll E, Sorenson S, Dawlaty JM
5626 - 5633	Geometric and Electronic Structures for MnS2-/0 Clusters by Interpreting the Anion Photoelectron Spectrum with Quantum Chemical Calculations Tran VT, Tran QT, Hendrickx MFA
5634 - 5641	Visible and Ultraviolet Spectroscopy of Gas Phase Rhodamine 575 Cations Daly S, Kulesza A, Knight G, MacAleese L, Antoine R, Dugourd P
5642 - 5649	Near-Infrared-to-Visible Photon Upconversion Enabled by Conjugated Porphyrinic Sensitizers under Low-Power Noncoherent Illumination Olivier JH, Bai YS, Uh H, Yoo H, Therien MJ, Castellano FN
5650 - 5657	Microwave Spectrum of Hexafluoroisopropanol and Torsional Behavior of Molecules with a CF3-C-CF3 Group Shahi A, Arunan E
5658 - 5667	Cation-pi and CH-pi Interactions in the Coordination and Solvation of Cu+(acetylene)(n) Complexes Brathwaite AD, Ward TB, Walters RS, Duncan MA
5668 - 5675	Infrared Spectroscopic Investigation of Photoionization-Induced Acidic C-H Bonds in Cyclic Ethers Xie M, Matsuda Y, Fujii A
5676 - 5684	Tetramethoxybenzene is a Good Building Block for Molecular Wires: Insights from Photoinduced Electron Transfer Heinz LG, Yushchenko O, Neuburger M, Vauthey E, Wenger OS
5685 - 5690	On-the-Fly ab lnitio Semiclassical Dynamics of Floppy Molecules: Absorption and Photoelectron Spectra of Ammonia Wehrle M, Oberli S, Vanicek J
5691 - 5700	Molecular Models of Cesium and Rubidium Adsorption on Weathered Micaceous Minerals Zaunbrecher LK, Cygan RT, Elliott WC
5701 - 5713	Direct Measurements of the Optical Cross Sections and Refractive Indices of Individual Volatile and Hygroscopic Aerosol Particles Mason BJ, Cotterell MI, Preston TC, Orr-Ewing AJ, Reid JP
5714 - 5722	Theoretical and Experimental Studies of the Dechlorination Mechanism of Carbon Tetrachloride on a Vivianite Ferrous Phosphate Surface Jeon K, Lee N, Bae S, Goddard WA, Kim H, Lee W
5723 - 5731	HO plus OClO Reaction System: Featuring a Barrierless Entrance Channel with Two Transition States Yang L, Sonk JA, Barker JR
5732 - 5741	Noble-Gas-Inserted Fluoro(sulphido)boron (FNgBS, Ng = Ar, Kr, and Xe): A Theoretical Prediction Ghosh A, Dey S, Manna D, Ghanty TK
5742 - 5748	Detailed Atomistic Investigation of Fe-Doped Rutile Phases Li WQ, Kuc A, Walther CFJ, Heine T
5749 - 5761	Effect of Sulfuric and Triflic Acids on the Hydration of Vanadium Cations: An ab Initio Study Sepehr F, Paddison SJ
5762 - 5769	MP2, CCSD(T), and Density Functional Theory Study of the 2-Butyl Cation: New Insight into the Methyl- and Hydrogen-Bridged Structures Rasul G, Prakash GKS, Olah GA
5770 - 5777	Pristine Graphene-Based Catalysis: Significant Reduction of the Inversion Barriers of Adsorbed and Confined Corannulene, Sumanene, and Dibenzo[a,g]corannulene Denis PA
5778 - 5789	Relativistic Environmental Effects in Si-29 NMR Chemical Shifts of Halosilanes: Light Nucleus, Heavy Environment Fedorov SV, Rusakov YY, Krivdin LB
5790 - 5803	Gas Phase Properties of MX2 and MX4 (X = F, Cl) for M = Group 4, Group 14, Cerium, and Thorium Thanthiriwatte KS, Vasiliu M, Battey SR, Lu Q, Peterson KA, Andrews L, Dixon DA
5804 - 5815	Toward Understanding of the Lower Rim Binding Preferences of Calix[4]arene Murphy P, McKinlay RG, Dalgamo SJ, Paterson MJ
5816 - 5825	Theoretical Study of Decomposition of Methanediol in Aqueous Solution Inaba S
5826 - 5841	Computational Study of Monosubstituted Azo(tetrazolepentazolium)-Based Ionic Dimers Pimienta ISO
5842 - 5852	Designation and Exploration of Halide-Anion Recognition Based on Cooperative Noncovalent Interactions Including Hydrogen Bonds and Anion-pi Liu YZ, Yuan K, Lv LL, Zhu YC, Yuan Z
5853 - 5864	Properties of Cationic Pnicogen-Bonded Complexes F4-nHnP+:N-Base with F-P center dot center dot center dot N Linear and n=0-3 Del Bene JE, Alkorta I, Elguero J
5865 - 5882	Numerical Study on the Partitioning of the Molecular Polarizability into Fluctuating Charge and Induced Atomic Dipole Contributions Mei Y, Simmonett AC, Pickard FC, DiStasio RA, Brooks BR, Shao YH
5883 - 5888	Kinetics of the Addition of Olefins to Si-Centered Radicals: The Critical Role of Dispersion Interactions Revealed by Theory and Experiment Johnson ER, Clarkin OJ, Dale SG, DiLabio GA
5889 - 5897	S center dot center dot center dot pi Chalcogen Bonds between SF2 or SF4 and C-C Multiple Bonds Nziko VDN, Scheiner S
5898 - 5899	Comment on "Isomer Specific Product Detection in the Reaction of CH with Acrolein" Vereecken L
5900 - 5900	Surface Enhanced Raman Scattering of Amino Acids Assisted by Gold Nanoparticles and Gd3+ Ions (vol 119, pg 4127, 2015) Lopez-Neira JP, Galicia-Hernandez JM, Reyes-Coronado A, Perez E, Castillo-Rivera F