Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.118, No.36 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (37 articles)

7623 - 7639	Density-Based Partitioning Methods for Ground-State Molecular Calculations Nafziger J, Wasserman A
7640 - 7652	Reactions of Atomic Hydrogen with Formic Acid and Carbon Monoxide in Solid Parahydrogen I: Anomalous Effect of Temperature Paulson LO, Mutunga FM, Follett SE, Anderson DT
7653 - 7662	Reactions of Atomic Hydrogen with Formic Acid and Carbon Monoxide in Solid Parahydrogen II: Deuterated Reaction Studies Wonderly WR, Anderson DT
7663 - 7671	Effect of Hydration on the Kinetics of Proton-Bound Dimer Formation: Experimental and Theoretical Study Valadbeigi Y, Farrokhpour H, Tabrizchi M
7672 - 7682	Graph Theoretical Analysis on the Kinetic Rate Equations of Linear Chain and Cyclic Reaction Networks Karmakar S, Mandal B
7683 - 7694	Mechanochemistry: The Effect of Dynamics Smalo HS, Rybkin VV, Klopper W, Helgaker T, Uggerud E
7695 - 7706	Reactivity of Cl Atom with Triple-Bonded Molecules. An Experimental and Theoretical Study with Alcohols Alwe HD, Sharma A, Walavalkar MP, Dhanya S, Naik PD
7707 - 7714	Isomerization of cis-1,2-Dimethylcyclohexane in Single-Pulse Shock Tube Experiments Rosado-Reyes CM, Tsang W
7715 - 7724	Theoretical Study on Reaction Mechanism of Ground-State Cyano Radical with 1,3-Butadiene: Prospect of Pyridine Formation Sun BJ, Huang CH, Chen SY, Chen SH, Kaiser RI, Chang AHH
7725 - 7731	Alternating Metastable/Stable Pattern in the Mercuric Iodide Crystal Formation Outside the Ostwald Rule of Stages Ayass MM, Mansour AA, Al-Ghoul M
7732 - 7741	Kinetic Study of the OH Radical Reaction with Phenylacetylene Kailasanathan RKA, Thapa J, Goulay F
7742 - 7757	Trajectory Study of Energy Transfer and Unimolecular Dissociation of Highly Excited Allyl with Argon Conte R, Houston PL, Bowman JM
7758 - 7775	Collisional Energy Transfer in Highly Excited Molecules Houston PL, Conte R, Bowman JM
7776 - 7781	Computational Study on the Kinetics and Mechanism of the Carbaryl plus OH Reaction Zavala-Oseguera C, Galano A, Merino G
7782 - 7787	Intramolecular Charge Transfer of Push-Pull Pyridinium Salts in the Triplet Manifold Carlotti B, Consiglio G, Elisei F, Fortuna CG, Mazzucato U, Spalletti A
7788 - 7795	Photoinduced Oxidation of Water in the Pyridine-Water Complex: Comparison of the Singlet and Triplet Photochemistries Liu XJ, Sobolewski AL, Domcke W
7796 - 7802	Long-Range Chemical Sensitivity in the Sulfur K-Edge X-ray Absorption Spectra of Substituted Thiophenes George GN, Hackett MJ, Sansone M, Gorbaty ML, Kelemen SR, Prince RC, Harris HH, Pickering IJ
7803 - 7815	Core Excitation, Specific Dissociation, and the Effect of the Size of Aromatic Molecules Connected to Oxygen: Phenyl Ether and 1,3-Diphenoxybenzene Lin YS, Lin SY, Lee YT, Tseng CM, Ni CK, Liu CL, Tsai CC, Chen JL, Hu WP
7816 - 7823	Quantum Yields and Reaction Times of Photochromic Diarylethenes: Nonadiabatic Ab initio Molecular Dynamics for Normal- and Inverse-Type Wiebeler C, Schumacher S
7824 - 7831	Photodissociation of Pyrene Cations: Structure and Energetics from C16H10+ to C-14(+) and Almost Everything in Between West B, Useli-Bacchitta F, Sabbah H, Blanchet V, Bodi A, Mayer PM, Joblin C
7832 - 7837	Tracking of Azobenzene Isomerization by X-ray Emission Spectroscopy Ebadi H
7838 - 7846	Formation of Bare UO22+ and NUO+ by Fragmentation of Gas-Phase Uranyl-Acetonitrile Complexes Van Stipdonk MJ, Michelini MD, Plaviak A, Martin D, Gibson JK
7847 - 7854	Quantum Chemistry Guide to PTRMS Studies of As-Yet Undetected Products of the Bromine-Atom Initiated Oxidation of Gaseous Elemental Mercury Dibble TS, Zelie MJ, Jiao YG
7855 - 7862	Structure, Stability, and Spectroscopic Properties of H-Bonded Complexes of HOSO and CH3SO with H2O Lesar A, Tusar S
7863 - 7875	Relativistic and Electron-Correlation Effects on the Nuclear Magnetic Resonance Shieldings of Molecules Containing Tin and Lead Atoms Maldonado AF, Aucar GA
7876 - 7891	Comprehensive Analysis of Energy Minima of the 20 Natural Amino Acids Yuan YN, Mills MJL, Popelier PLA, Jensen F
7892 - 7900	Molecular Interaction of Pinic Acid with Sulfuric Acid: Exploring the Thermodynamic Landscape of Cluster Growth Elm J, Kurten T, Bilde M, Mikkelsen KV
7901 - 7910	Analysis of CF center dot center dot center dot FC Interactions on Cyclohexane and Naphthalene Frameworks Cormanich RA, Rittner R, O'Hagan D, Buhl M
7911 - 7924	Distribution of Topologically Distinct Isomers of Water Clusters and Dipole Moments of Constituent Water Molecules at Finite Atmospheric Temperatures Akase D, Aida M
7925 - 7938	Cyclic and Acyclic Fructose Conformers in the Gas Phase: A Large-Scale Second-Order Perturbation Theory Study Szczepaniak M, Moc J
7939 - 7951	Design and Computational Characterization of Non-Fullerene Acceptors for Use in Solution-Processable Solar Cells Rutledge LR, McAfee SM, Welch GC
7952 - 7958	Pb-207 and Sn-119 Solid-State NMR and Relativistic Density Functional Theory Studies of the Historic Pigment Lead-Tin Yellow Type I and Its Reactivity in Oil Paintings Catalano J, Murphy A, Yao Y, Alkan F, Zurnbulyadis N, Centeno SA, Dybowski C
7959 - 7974	Theoretical Study of the Hydration of Atmospheric Nucleation Precursors with Acetic Acid Zhu YP, Liu YR, Huang T, Jiang S, Xu KM, Wen H, Zhang WJ, Huang W
7975 - 7985	The Formic Acid-Nitric Acid Complex: Microwave Spectrum, Structure, and Proton Transfer Mackenzie RB, Dewberry CT, Leopold KR
7986 - 8001	Elucidating the Ring Inversion Mechanism(s) for Biscalixarenes Murphy P, Dalgarno SJ, Paterson MJ
8002 - 8008	Unexpected Primary Reactions for Thermolysis of 1,1-Diamino-2,2-dinitroethylene (FOX-7) Revealed by ab Initio Calculations Kiselev VG, Gritsan NP
8009 - 8010	Vibrational Anharmonicities and Reactivity of Tetrafluoroethylene (vol 118, pg 5391, 2014) Fuss W, Robertson EG, Medcraft C, Appadoo DRT