Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.121, No.5 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (27 articles)

901 - 926	Formation Mechanisms of Naphthalene and Indene: From the Interstellar Medium to Combustion Flames Mebel AM, Landera A, Kaiser RI
927 - 937	H-Abstraction by OH from Large Branched Alkanes: Overall Rate Measurements and Site-Specific Tertiary Rate Calculations Liu DP, Khaled F, Giri BR, Assaf E, Fittschen C, Farooq A
938 - 945	Temperature-Dependent Rate Coefficients for the Reaction of CH2OO with Hydrogen Sulfide Smith MC, Chao W, Kumar M, Francisco JS, Takahashi K, Lin JJM
946 - 953	Comprehensive Look at the Photochemistry of Tolane Kramer M, Bunz UHF, Dreuw A
954 - 962	Geometric and Electronic Structures of Dibenzo-15-Crown-5 Complexes with Alkali Metal Ions Studied by UV Photodissociation and UV-UV Hole-Burning Spectroscopy Inokuchi Y, Kida M, Ebata T
963 - 968	Probing the Absorption and Emission Transition Dipole Moment of DNA Stabilized Silver Nanoclusters Hooley EN, Carro-Temboury MR, Vosch T
969 - 976	Ultrafast Dissociation Dynamics of 2-Ethylpyrrole Cole-Filipiak NC, Staniforth M, Rodrigues NDN, Peperstraete Y, Stavros VG
977 - 985	Protonation-Induced Sign Inversion of the Cotton Effects of Pyridinophanes. A Combined Experimental and Theoretical Study Shimizu A, Inoue Y, Mori T
986 - 997	Single Conformation Spectroscopy of Suberoylanilide Hydroxamic Acid: A Molecule Bites Its Tail Zhang D, Blodgett KN, Zhu X, Zwier TS
998 - 1006	Thioformaldehyde S-Sulfide, Sulfur Analogue of the Criegee Intermediate: Structures, Energetics, and Rovibrational Analysis Murphy KV, Morgan WJ, Sun Z, Schaefer HF, Agarwal J
1007 - 1011	Phase-Resolved Heterodyne-Detected Transient Grating Enhances the Capabilities of 2D IR Echo Spectroscopy Jin GY, Kim YS
1012 - 1021	Photoabsorption Assignments for the (C)over-tilde(1)B(2) <-(X)over-tilde(1)A(1)bronic Transitions of SO2, Using New Ab lnitio Potential Energy and Transition Dipole Surfaces Kumar P, Jiang B, Guo H, Klos J, Alexander MH, Poirier B
1022 - 1031	Oxygenate-Induced Tuning of Aldehyde-Amine Reactivity and Its Atmospheric Implications Perez JE, Kumar M, Francisco JS, Sinha A
1032 - 1040	Theoretical Study of Silicon Monoxide Reactions with Ammonia and Methane Nguyen HT, Hang TD, Nguyen MT
1041 - 1050	Acidity of M(VI)O-2(OH)(2) for M = Group 6, 16, and U as Central Atoms Feng RL, Vasiliu M, Peterson KA, Dixon DA
1051 - 1068	Extension of the ReaxFF Combustion Force Field toward Syngas Combustion and Initial Oxidation Kinetics Ashraf C, van Duin ACT
1069 - 1077	Clustering of Uracil Molecules on Ice Nanoparticles Pysanenko A, Kocisek J, Nachtigallova D, Poterya V, Farnik M
1078 - 1085	Competing E2 and S(N)2 Mechanisms for the F- + CH3CH2I Reaction Yang L, Zhang JX, Xie J, Ma XY, Zhang LY, Zhao CY, Hase WL
1086 - 1105	Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions West AC, Schmidt MW, Gordon MS, Ruedenberg K
1106 - 1112	Theoretical Prediction on [5]Radialene Sandwich Complexes (CpM)(2)(C10H10) (Cp =eta(C5-H5)-C-5; M = Fe, Co, Ni): Geometry, Spin States, and Bonding Liu NN, Xue YY, Ding YH
1113 - 1120	Simulation of DBS, DBS-COOH, and DBS-CONHNH2 as Hydrogelators Knani D, Alperstein D
1121 - 1132	Variational Effect and Anharmonic Torsion on Kinetic Modeling for Initiation Reaction of Dimethyl Ether Combustion Guan YL, Gao J, Song YM, Li Y, Ma HX, Song JR
1133 - 1139	New Insight into the Formation Mechanism of Imidazolium-Based Ionic Liquids from N-Alkyl Imidazoles and Halogenated Hydrocarbons: A Polar Microenvironment Induced and Autopromoted Process Mu XL, Jiang N, Liu CB, Zhang DJ
1140 - 1144	Why Are Addition Reactions to N-2 Thermodynamically Unfavorable? Borden WT
1145 - 1152	Intersystem Crossing Rates of Isolated Fullerenes: Theoretical Calculations Liu YX, Lin MS, Zhao Y
1153 - 1162	Accurate Theoretical Thermochemistry for Fluoroethyl Radicals Ganyecz A, Kallay M, Csontos J
1163 - 1167	Observation of the Ring-Puckering Vibrational Mode in Thietane Cation Lee YR, Park CB, Hwang J, Sung BJ, Kim HL, Kwon CH