Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.124, No.10 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (23 articles)

1885 - 1895	Thermal-Induced Twisting and Photoinduced Planarization of Salicylideneaniline in Alcohols Ponnusamy K, Ramamurthy K, Chellappan S
1896 - 1902	Soft X-ray Radiation and Monte Carlo Simulations: Good Tools to Describe the Radiation Chemistry of Sub-keV Electrons Huart L, Nicolas C, Kaddissy JA, Guigner JM, Touati A, Politis MF, Mercere P, Gervais B, Renault JP, du Penhoat MAH
1903 - 1910	Intramolecular Reactions in Ionized Ammonia Clusters: A Direct Ab Initio Molecular Dynamics Study Tachikawa H
1911 - 1921	Insights into the Photodecomposition of Azidomethyl Methyl Sulfide: A S-2/S-1 Conical Intersection on Nitrene Potential Energy Surfaces Leading to the Formation of S-Methyl-N-sulfenylmethanimine Algarra M, Soto J, da Silva LP, Pino-Gonzalez MS, Rodriguez-Borges JE, Mascetti J, Borget F, Reisi-Vanani A, Luque R
1922 - 1928	An Ab Initio Molecular Dynamics Study of the Hydrolysis Reaction of Sulfur Trioxide Catalyzed by a Formic Acid or Water Molecule Kangas P, Hanninen V, Halonen L
1929 - 1939	Imaging Reaction Dynamics of F-(H2O) and Cl-(H2O) with CH3I Bastian B, Michaelsen T, Li LL, Oncak M, Meyer J, Zhang DH, Wester R
1940 - 1953	Photodissociation and Theory to Investigate Uranium Oxide Cluster Cations Marks JH, Kahn P, Vasiliu M, Dixon DA, Duncan MA
1954 - 1958	Radiation-Induced Transformation of CHF3 center dot center dot center dot CO to the CF3 center dot center dot center dot CO Complex: Matrix Isolation and Ab Initio Study Sosulin IS, Tyurin DA, Feldman VI
1959 - 1972	Real-Space Approach to the Reaction Force: Understanding the Origin of Synchronicity/Nonsynchronicity in Multibond Chemical Reactions Yepes D, Munarriz J, I'Anson D, Contreras-Garcia J, Jaque P
1973 - 1980	Infrared Spectroscopy and Density Functional Theory Investigations of the Reactivity of Titanium Atoms with Carbon Monoxide and Water Isolated in Solid Argon: Sequential Evolution from Triplet to Singlet State Ibrahim M, Soulard P, Alikhani ME, Tremblay B
1981 - 1992	Massive Theoretical Screen of Hole Conducting Organic Materials in the Heteroacene Family by Using a Cloud-Computing Environment Matsuzawa NN, Arai H, Sasago M, Fujii E, Goldberg A, Mustard TJ, Kwak HS, Giesen DJ, Ranalli F, Halls MD
1993 - 2000	Pressure-Induced Amorphization of Diisopropylammonium Perchlorate Studied by Raman Spectroscopy and X-ray Diffraction Sahoo S, Ravindran TR, Rajaraman R, Srihari V, Pandey KK, Chandra S
2001 - 2013	Cation, Anion, and Radical Isomers of C4H4N: Computational Characterization and Implications for Astrophysical and Planetary Environments Hendrix J, Bera PP, Lee TJ, Head-Gordon M
2014 - 2018	Capture and Reactivity of an Elusive Carbon-Sulfur Centered Biradical Gerbig D, Bernhardt B, Wende RC, Schreiner PR
2019 - 2028	Mass Spectrometric Characterization of the Partial Oxidation Process of a Gasoline Surrogate Induced by a Dielectric Barrier Discharge Asakawa D, Saito N, Takahashi E
2029 - 2035	How CuCl and CuCl2 Insert into C-N Bonds of Diazo Compounds: An Electronic Structure and Mechanistic Study Li FY, Zhang JZ, Xia F
2036 - 2045	Probing Orientation-Specific Charge-Dipole Interactions between Hexafluoroisopropanol and Halides: A Joint Photoelectron Spectroscopy and Theoretical Study Wang L, Yuan QQ, Cao WJ, Han J, Zhou XG, Liu SL, Wang XB
2046 - 2056	How Many Pnicogen Bonds can be Formed to a Central Atom Simultaneously? Wysokinski R, Zierkiewicz W, Michalczyk M, Scheiner S
2057 - 2063	Combined Experimental and Theoretical Studies on Planar Chirality of Partially Overlapped C-2-Symmetric [3.3](3,9)Dicarbazolophanes Tani K, Imafuku R, Miyanaga K, Masaki ME, Kato H, Hori K, Kubono K, Taneda M, Harada T, Goto K, Tani F, Mori T
2064 - 2076	Fate of Dipole-Bound Anion States when Hydrated Anusiewicz I, Skurski P, Simons J
2077 - 2089	Reaction Energetics and C-13 Fractionation of Alanine Transamination in the Aqueous and Gas Phases McNeill AS, Dallas BH, Eiler JM, Bylaska EJ, Dixon DA
2090 - 2101	Electrophilicity Indices and Halogen Bonds: Some New Alternatives to the Molecular Electrostatic Potential Hoffmann G, Tognetti V, Joubert L
2102 - 2107	van der Waals Function for Molecular Mechanics Yang L, Sun L, Deng WQ