화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.113, No.29 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (39 articles)

8143 - 8146 Conformation-Dependent Chemical Reaction of Formic Acid with an Oxygen Atom
Khriachtchev L, Domanskaya A, Marushkevich K, Rasanen M, Grigorenko B, Ermilov A, Andrijchenko N, Nemukhin A
8147 - 8151 Degenerate Intermolecular and Intramolecular Proton-Transfer Reactions: Electronic Structure of the Transition States
Mandal TK, Pati SK, Datta A
8152 - 8156 Acid Dissociation versus Molecular Association of Perfluoroalkyl Oxoacids: Environmental Implications
Cheng J, Psillakis E, Hoffmann MR, Colussi AJ
8157 - 8163 Exploring the Time-Scales of H-Atom Detachment from Photoexcited Phenol-h(6) and Phenol-d(5): Statistical vs Nonstatistical Decay
Iqbal A, Cheung MSY, Nix MGD, Stavros VG
8164 - 8168 Oscillation and Synchronization in the Combustion of Candles
Kitahata H, Taguchi J, Nagayama M, Sakurai T, Ikura Y, Osa A, Sumino Y, Tanaka M, Yokoyama E, Miike H
8169 - 8175 Microsolvation and Protonation Effects on Geometric and Electronic Structures of Tryptophan and Tryptophan-Containing Dipeptides
Fujihara A, Noguchi N, Yamada Y, Ishikawa H, Fuke K
8176 - 8181 Information Content in O[1s] K-edge X-ray Emission Spectroscopy of Liquid Water
Odelius M
8182 - 8186 Probing Exciton Localization/Delocalization: Transient dc Photoconductivity Studies of Excited States of Symmetrical Porphyrin Monomers, Oligomers, and Supramolecular Assemblies
She CX, McGarrah JE, Lee SJ, Goodman JL, Nguyen ST, Williams JAG, Hupp JT
8187 - 8194 Cavity Ring-Down Laser Absorption Spectroscopy of Jet-Cooled L-Tryptophan
Rouille G, Arold M, Staicu A, Henning T, Huisken F
8195 - 8201 Observation of Proton Transfer in 2-Aminopyridine Dimer by Electron and Mass Spectroscopy
Samoylova E, Radloff W, Ritze HH, Schultz T
8202 - 8212 Excited-State Dynamics of Hybrid Multichromophoric Systems: Toward an Excitation Wavelength Control of the Charge Separation Pathways
Banerji N, Duvanel G, Perez-Velasco A, Maity S, Sakai N, Matile S, Vauthey E
8213 - 8220 Theoretical Study of Photophysical Properties of Bisindolylmaleimide Derivatives
Saita K, Nakazono M, Zaitsu K, Nanbu S, Sekiya H
8221 - 8234 On the Structure Elucidation Using Ion Mobility Spectrometry and Molecular Dynamics
Fernandez-Lima FA, Wei H, Gao YQ, Russell DH
8235 - 8242 Obtaining Low-Frequency Spectra of Acetone Dissolved in Cyclohexane by Terahertz Time-Domain Spectroscopy
Dutta P, Tominaga K
8243 - 8248 Precipitation Pattern Formation in the Copper(II) Oxalate System with Gravity Flow and Axial Symmetry
Baker A, Toth A, Horvath D, Walkush J, Ali AS, Morgan W, Kukovecz A, Pantaleone JJ, Maselko J
8249 - 8257 Oxidation of Tryptamine and 5-Hydroxytryptamine: A Pulse Radiolysis and Quantum Chemical Study
Gaikwad P, Priyadarsini KI, Naumov S, Rao BSM
8258 - 8267 A Thermodynamic and Kinetic Characterization of the Solvent Dependence of the Saddle-Crown Equilibrium of Cyclotriveratrylene Oxime
French DC, Lutz MR, Lu CC, Zeller M, Becker DP
8268 - 8277 Calculated Raman Optical Activity Spectra of 1,6-Anhydro-beta-D-glucopyranose
Luber S, Reiher M
8278 - 8285 New Chemical Source of the HCO Radical Following Photoexcitation of Glyoxal, (HCO)(2)
Salter RJ, Blitz MA, Heard DE, Pilling MJ, Seakins PW
8286 - 8298 Photoinduced Hydrogen-Atom Eliminations of 6-Hydroxyquinoline and 7-Hydroxyquinoline Studied by Low-Temperature Matrix-Isolation Infrared Spectroscopy and Density-Functional-Theory Calculations
Sekine M, Nagai Y, Sekiya H, Nakata M
8299 - 8306 Theoretical Study of Reactions in the Multiple Well H-2/S-2 System
Zhou C, Sendt K, Haynes BS
8307 - 8317 Decomposition and Vibrational Relaxation in CH3I and Self-Reaction of CH3 Radicals
Yang XL, Goldsmith CF, Tranter RS
8318 - 8326 The Dissociation of Diacetyl: A Shock Tube and Theoretical Study
Yang XL, Jasper AW, Kiefer JH, Tranter RS
8327 - 8336 Kinetics of the Hydrogen Abstraction C2H3 center dot + Alkane -> C2H4 + Alkyl Radical Reaction Class
Muszynska M, Ratkiewicz A, Huynh LK, Truong TN
8337 - 8342 Microwave Spectrum, Structure, Barrier to Internal Rotation, and Dipole Moment of the Aziridine-Borane Complex (C2H5N-BH3)
Konovalov A, Mollendal H, Guillemin JC
8343 - 8350 Ultraviolet Photodepletion Spectroscopy of Dibenzo-18-Crown-6-Ether Complexes with Alkali Metal Cations
Choi CM, Kim HJ, Lee JH, Shin WJ, Yoon TO, Kim NJ, Heo J
8351 - 8358 The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study
Eckert-Maksic M, Lischka H, Maksic ZB, Vazdar M
8359 - 8365 Characterizing Complexes with F-Li+-F Lithium Bonds: Structures, Binding Energies, and Spin-Spin Coupling Constants
Del Bene JE, Alkorta I, Elguero J
8366 - 8378 Electron Densities of Three B-12 Vitamins
Mebs S, Henn J, Dittrich B, Paulmann C, Luger P
8379 - 8386 Structural Interpretation of J Coupling Constants in Guanosine and Deoxyguanosine: Modeling the Effects of Sugar Pucker, Backbone Conformation, and Base Pairing
Vokacova Z, Bickelhaupt FM, Sponer J, Sychrovsky V
8387 - 8393 Carbon center dot center dot center dot Carbon Weak Interactions
Alkorta I, Blanco F, Elguero J, Dobado JA, Ferrer SM, Vidal I
8394 - 8400 Peculiarities of Multiple Cr-Cr Bonding. Insights from the Analysis of Domain-Averaged Fermi Holes
Ponec R, Feixas F
8401 - 8408 Conformational and Vibrational Analysis of Methyl Methanesulfonate, CH3SO2OCH3
Tuttolomondo ME, Navarro A, Pena T, Varetti EL, Parker SF, Ben Altabef A
8409 - 8414 Theoretical Study of Photochromic Compounds. 1. Bond Length Alternation and Absorption Spectra for the Open and Closed Forms of 29 Diarylethene Derivatives
Patel PD, Masunov AE
8415 - 8420 Heterogeneous CO2 Evolution from Oxidation of Aromatic Carbon-Based Materials
Orrego JF, Zapata F, Truong TN, Mondragon F
8421 - 8424 Revision of the Gas-Phase Acidity Scale below 300 kcal mol(-1)
Leito I, Raamat E, Kutt A, Saame J, Kipper K, Koppel IA, Koppel I, Zhang M, Mishima M, Yagupolskii LM, Garlyauskayte RY, Filatov AA
8425 - 8433 Theoretical Study of (1)Sigma(+) States of Alkali Hydride XH Molecule (X = Na, K and Rb) in Adiabatic and Nonadiabatic Representations
Khelifi N
8434 - 8447 Benchmark Thermochemistry of the CnH2n+2 Alkane Isomers (n=2-8) and Performance of DFT and Composite Ab Initio Methods for Dispersion-Driven Isomeric Equilibria
Karton A, Gruzman D, Martin JML
8448 - 8448 Fluctuations at the Base Pair Level Effecting Charge Transfer in DNA (vol 113A, pg 3955, 2009)
Mallajosyula SS, Gupta A, Pati SK