Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.115, No.40 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (32 articles)

10823 - 10845	Presence and Absence of Excited State Intramolecular Charge Transfer with the Six Isomers of Dicyano-N,N-dimethylaniline and Dicyano-(N-methyl-N-isopropyl)aniline Galievsky VA, Druzhinin SI, Demeter A, Koyalenko SA, Senyushkina T, Mayer P, Zachariasse KA
10846 - 10853	Laser Spectroscopic and Theoretical Studies of Encapsulation Complexes of Calix[4]arene Kaneko S, Inokuchi Y, Ebata T, Apra E, Xantheas SS
10854 - 10861	Solvent Tuning of a Conical Intersection: Direct Experimental Verification of a Theoretical Prediction Kahan A, Wand A, Ruhman S, Zilberg S, Haas Y
10862 - 10870	Molecular Dynamics Investigations of Ozone on an Ab Initio Potential Energy Surface with the Utilization of Pattern-Recognition Neural Network for Accurate Determination of Product Formation Le HM, Dinh TS, Le HV
10871 - 10879	Ar Solvation Shells in K+-HFBz: From Cluster Rearrangement to Solvation Dynamics Alberti M, Lago NF, Pirani F
10880 - 10887	What Is the Shape of the Helium Trimer? A Comparison with the Neon and Argon Trimers Bressanini D, Morosi G
10888 - 10893	Atomic Alignment Effect in the Dissociative Energy Transfer Reaction of Metal Carbonyls (Fe(CO)(5), Ni(CO)(4)) with Oriented Ar (P-3(2), M-J=2) Ohoyama H, Matsuura Y
10894 - 10902	Crossed-Beams Studies of the Dynamics of the H-Atom Abstraction Reaction, O(P-3) + CH4 -> OH + CH3, at Hyperthermal Collision Energies Zhang JM, Lahankar SA, Garton DJ, Minton TK, Zhang WQ, Yang XM
10903 - 10910	Experimental Method to Measure the Effect of Charge on Bimolecular Collision Rates in Electrolyte Solutions Bales BL, Cadman KM, Peric M, Schwartz RN, Peric M
10911 - 10919	Kinetics and Thermodynamics of Limonene Ozonolysis Baptista L, Pfeifer R, da Silva EC, Arbilla G
10920 - 10929	Positive and Negative Photoion Spectroscopy Study of Monochlorothiophenes Xu YF, Tian SX, Chen LL, Liu FY, Sheng LS
10930 - 10949	Optical Rotation Calculated with Time-Dependent Density Functional Theory: The OR45 Benchmark Srebro M, Govind N, de Jong WA, Autschbach J
10950 - 10961	New Approximate Analytical Expressions for Transient Concentration Profiles and Current Pertaining to a Homogeneous Chemical Reaction at Hemispherical Microelectrodes Athimoolam M, Lakshmanan R, Alwarappan S
10962 - 10971	Temperature Dependence of the Fluorescence Properties of Curcumin Erez Y, Presiado I, Gepshtein R, Huppert D
10972 - 10978	Electronic Absorption Spectra of Protonated Pyrene and Coronene in Neon Matrixes Garkusha I, Fulara J, Sarre PJ, Maier JP
10979 - 10987	On the Mechanism of Re(I)-Carboxylate Bond Cleavage by Perchloric Acid: A Kinetic and Spectroscopic Study Fagioli UN, Einschlag FSG, Cobos CJ, Ruiz GT, Feliz MR, Wolcan E
10988 - 10995	Picosecond Dynamics of Proton Transfer of a 7-Hydroxyflavylium Salt in Aqueous-Organic Solvent Mixtures Freitas AA, Quina FH, Macanita AAL
10996 - 11000	Laser Flash Photolysis of Benzophenone in Polymer Films Levin PP, Khudyakov IV
11001 - 11007	Measurement of Heterogeneous Reaction Rates: Three Strategies for Controlling Mass Transport and Their Application to Indium-Mediated Allylations Olson IA, Bacon WA, Sosa YYB, Delaney KM, Forte SA, Guglielmo MA, Hill AN, Kiesow KH, Langenbacher RE, Xun YH, Young RO, Bowyer WJ
11008 - 11015	Atmospheric Reaction of the HOSO Radical with NO2: A Theoretical Study Lesar A, Tavcar A
11016 - 11022	ReaxFF-/g: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials Liu LC, Liu Y, Zybin SV, Sun H, Goddard WA
11023 - 11032	Theoretical Investigation for the Cycle Reaction of N2O (x(1)Sigma(+)) with CO ((1)Sigma(+)) Catalyzed by IrOn+ (n=1, 2) and Utilizing the Energy Span Model to Study Its Kinetic Information Nian JY, Wang YC, Ma WP, Ji DF, Wang CL, La MJ
11033 - 11038	Static Compression of Tetramethylammonium Borohydride Dalton DA, Somayazulu M, Goncharov AF, Hemley RJ
11039 - 11044	Importance of Accurate Spectral Simulations for the Analysis of Terahertz Spectra: Citric Acid Anhydrate and Monohydrate King MD, Davis EA, Smith TM, Korter TM
11045 - 11049	Reactive Molecular Dynamics Study on the First Steps of DNA Damage by Free Hydroxyl Radicals Abolfath RM, van Duin ACT, Brabec T
11050 - 11056	Anharmonic Frequencies of CX2Y2 (X, Y = O, N, F, H, D) Isomers and Related Systems Obtained from Vibrational Multiconfiguration Self-Consistent Field Theory Pfeiffer F, Rauhut G
11057 - 11066	Cooperativity between S center dot center dot center dot pi and Rg center dot center dot center dot pi in the OCS center dot center dot center dot C6H6 center dot center dot center dot Rg (Rg = He, Ne, Ar, and Kr) van der Waals Complexes Zeng YL, Hao J, Zheng SJ, Meng LP
11067 - 11078	Vibrational Characterization of L-Leucine Phosphonate Analogues: FT-IR, FT-Raman, and SERS Spectroscopy Studies and DFT Calculations Podstawka-Proniewicz E, Piergies N, Skoluba D, Kafarski P, Kim Y, Proniewicz LM
11079 - 11086	Halogen Bonding Interaction between Fluorohalides and Isocyanides McAllister LJ, Bruce DW, Karadakov PB
11087 - 11100	Role of the Somersault Rearrangement in the Oxidation Step for Flavin Monooxygenases (FMO). A Comparison between FMO and Conventional Xenobiotic Oxidation with Hydroperoxides Bach RD
11101 - 11110	Abilities of Different Electron Donors (D) to Engage in a P center dot center dot center dot D Noncovalent Interaction Scheiner S, Adhikari U
11111 - 11111	Ultrafast Ring-Opening/Closing and Deactivation Channels for a Model Spiropyran-Merocyanine System (vol 115, pg 9128, 2011) Sanchez-Lozano M, Estevez CM, Hermida-Ramon J, Serrano-Andres L