화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.123, No.14 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (22 articles)

3057 - 3057 Viewpoint: New Physical Insights from Kinetics Studies
Mullin AS, Guo H, Mccoy AB
3058 - 3067 Kinetics of Hydrogen Abstraction Reactions of Methyl Palmitate and Octadecane by Hydrogen Atoms
Chi YW, You XQ
3068 - 3073 Delayed Relaxation of Highly Excited Cationic States in Naphthalene
Reitsma G, Hummert J, Dura J, Loriot V, Vrakking MJJ, Lepine F, Kornilov O
3074 - 3079 Controlling NO Production Upon Valence Ionization of Nitroimidazoles
Itala E, Myllynen H, Niskanen J, Gonzalez-Vazquez J, Wang Y, Ha DT, Denifl S, Kukk E
3080 - 3089 Diagnosing the Impact of External Electric Fields Chemical Kinetics: Application to Toluene Oxidation and Pyrolysis
Fu CD, He Y, Pfaendtner J
3090 - 3097 A Mixed Quantum/Classical Approach to Associative Detachment in Low-Energy H- + H Collisions
Grozdanov TP, McCarroll R
3098 - 3108 Excited States of One-Electron Oxidized Guanine-Cytosine Base Pair Radicals: A Time Dependent Density Functional Theory Study
Kumar A, Sevilla MD
3109 - 3120 Photochemical Relaxation Pathways of 9H-8-Azaguanine and 8H-8-Azaguanine
de Araujo AVS, Borin AC
3121 - 3130 Difficulties and Virtues in Assessing the Potential Energy Surfaces of Carbon Clusters via DMBE Theory: Stationary Points of C-kappa (kappa=2-10) at the Focal Point
Rocha CMR, Li J, Varandas AJC
3131 - 3141 Influence of Ammonia and Water on the Fate of Sulfur Trioxide in the Troposphere: Theoretical Investigation of Sulfamic Acid and Sulfuric Acid Formation Pathways
Sarkar S, Oram BK, Bandyopadhyay B
3142 - 3148 Negative Ion Photoelectron Spectroscopy Confirms the Prediction of a Singlet Ground State for the 1,8-Naphthoquinone Diradical
Yang Z, Hrovat DA, Hou GL, Borden WT, Wang XB
3149 - 3159 Mechanism of Kynurenine 3-Monooxygenase-Catalyzed Hydroxylation Reaction: A Quantum Cluster Approach
Ozkilic Y, Tuzun N
3160 - 3169 Understanding UV-Vis Spectra of Halogenated Tetraazaperopyrenes (TAPPs): A Computational Study
Hofener S, Gunther BAR, Harding ME, Gade LH
3170 - 3175 Unexpected Growth Coordinate in Large Clusters Consisting of Sulfuric Acid and C8H12O6 Tricarboxylic Acid
Elm J
3176 - 3184 Thermochemistry and Kinetics of Intermolecular Addition of Radicals to Toluene and Alkylaromatics
Lai L, Green WH
3185 - 3193 Role of H-Optimization in the Computed Intermolecular Interactions and Charge-Transfer Integrals in Diketopyrrolopyrroles
Calvo-Castro J, Kennedy AR, McHugh CJ
3194 - 3198 Enantiomeric Analysis of Chiral Isotopomers via Microwave Three-Wave Mixing
Satterthwaite L, Perez C, Steber AL, Finestone D, Broadrup RL, Patterson D
3199 - 3204 Excitation Energies from the Single-Particle Green's Function with the GW Approximation
Jin Y, Yang WT
3205 - 3213 Atmospheric Chemistry of Enols: Vinyl Alcohol + OH + O-2 Reaction Revisited
Lei XY, Wang WN, Cai J, Wang CW, Liu FY, Wang WL
3214 - 3222 Ligand Effects on the Linear Response Hubbard U: The Case of Transition Metal Phthalocyanines
Brumboiu IE, Haldar S, Luder J, Eriksson E, Herper HC, Brena B, Sanyal B
3223 - 3228 Visualizing Complex-Valued Molecular Orbitals
Al-Saadon R, Shiozaki T, Knizia G
3229 - 3238 Edge Effects in Benzenoid and Total Resonant Sextet Benzenoid Hydrocarbons and Clar's Sextet Principle
Dias JR