화학공학소재연구정보센터

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