Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.120, No.28 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (37 articles)

5419 - 5426 Photofragmentation of Serine Following C 1s Core Ionization-Comparison with Cysteine
Itala E, Levola H, Ha DT, Kooser K, Rachlew E, Kukk E
5427 - 5434 Improved Shock Tube Measurement of the CH4 + Ar = CH3 + H + Ar Rate Constant using UV Cavity-Enhanced Absorption Spectroscopy of CH3
Wang SK, Davidson DF, Hanson RK
5435 - 5445 New Insights of the Fenton Reaction Using Glycerol as the Experimental Model. Effect of O-2, Inhibition by Mg2+, and Oxidation State of Fe
Vitale AA, Bernatene EA, Vitale MG, Pomilio AB
5446 - 5456 Back-Influence of Molecular Motion on Energy Transfer in the Landau-Teller Model of Atom Molecule Scattering
Pollak E
5457 - 5463 Theoretical Study on the Reaction Mechanism of Ti with CH3CN in the Gas Phase
Wang XL, Wang YC, Li S, Zhang YW, Ma PP
5464 - 5473 Investigation of the Abstraction and Dissociation Mechanism in the Nitrogen Trifluoride Channels: Combined Post-Hartree-Fock and Transition State Theory Approaches
Claudino D, Gargano R, Carvalho-Silva VH, Silva GME, da Cunha WF
5474 - 5480 Photochemical Degradation of Various Bridge-Substituted Fluorene-Based Materials
Kobin B, Behren S, Braun-Cula B, Hecht S
5481 - 5496 Solvent Polarity Effect on Nonradiative Decay Rate of Thioflavin T
Stsiapura VI, Kurhuzenkau SA, Kuzmitsky VA, Bouganov OV, Tikhomirov SA
5497 - 5503 Stark Spectroscopy of Rubrene. II. Stark Fluorescence Spectroscopy and Fluorescence Quenching Induced by an External Electric Field
Iimori T, Ito R, Ohta N
5504 - 5511 Electrochemical Behavior of meso-Substituted Porphyrins: The Role of Cation Radicals to the Half-Wave Oxidation Potential Splitting
Tran TTH, Chang YR, Hoang TKA, Kuo MY, Su YO
5512 - 5521 Effect of Oligomer Length on Photophysical Properties of Platinum Acetylide Donor-Acceptor-Donor Oligomers
Cekli S, Winkel RW, Schanze KS
5522 - 5526 Femtosecond Laser-Induced Upconversion Luminescence in Rare-Earth Ions by Nonresonant Multiphoton Absorption
Yao YH, Xu C, Zheng Y, Yang CS, Liu P, Jia TQ, Qiu JR, Sun ZR, Zhang S
5527 - 5538 Resonance Raman Optical Activity of Single Walled Chiral Carbon Nanotubes
Nagy PR, Koltai J, Surjan PR, Kurti J, Szabados A
5539 - 5548 Spectral Properties and Energy Transfer between Ce3+ and Yb3+ in the Ca3Sc2Si3O12 Host: Is It an Electron Transfer Mechanism?
Zhou L, Tanner PA, Ning LX, Zhou WJ, Liang HB, Zheng LR
5549 - 5553 Indirect Spin-Spin Coupling Constants in the Hydrogen Isotopologues
Garbacz P, Chotkowski M, Rogulski Z, Jaszunsk M
5554 - 5561 pH-Response Optimization of Amino-Substituted Tetraphenylporphyrin Derivatives as pH-Activatable Photosensitizers
Horiuchi H, Kuribara R, Hirabara A, Okutsu T
5562 - 5572 Infrared and Ultraviolet Spectra of Diborane(6): B2H6 and B2D6
Peng YC, Chou SL, Lo JI, Lin MY, Lu HC, Cheng BM, Ogilvie JF
5573 - 5580 Observation of Evidence for the pi*-sigma* Hyperconjugation in the S-1 State of o-, m-, and p-Fluorotoluenes by Double-Resonance Infrared Spectroscopy
Chiba T, Okuyama K, Fujii A
5581 - 5589 Absorption Band Shapes of a Push-Pull Dye Approaching the Cyanine Limit: A Challenging Case for First Principle Calculations
Capobianco A, Borrelli R, Landi A, Velardo A, Peluso A
5590 - 5597 Methanesulfonyl Azide: Molecular Structure and Photolysis in Solid Noble Gas Matrices
Deng GH, Li DQ, Wu Z, Li HM, Bernhardt E, Zeng XQ
5598 - 5608 Vibrational Signatures of Conformer-Specific Intramolecular Interactions in Protonated Tryptophan
Pereverzev AY, Cheng XL, Nagomova NS, Reese DL, Steele RP, Boyarkin OV
5609 - 5616 Heterogeneous Reactions of Acetic Acid with Oxide Surfaces: Effects of Mineralogy and Relative Humidity
Tang MJ, Larish WA, Fang Y, Gankanda A, Grassian VH
5617 - 5623 Simple and Green Fabrication of a Superhydrophobic Surface by One-Step Immersion for Continuous Oil/Water Separation
Zhu JF, Liu B, Li LY, Zeng ZX, Zhao WJ, Wang G, Guan XY
5624 - 5634 The Relativistic Effects on the Carbon-Carbon Coupling Constants Mediated by a Heavy Atom
Wodynski A, Malkina OL, Pecul M
5635 - 5648 High-Order Ca(II)-Chloro Complexes in Mixed CaCl2-LiCl Aqueous Solution: Insights from Density Functional Theory and Molecular Dynamics Simulations
Wang YL, Wang Y, Yi HB
5649 - 5657 Unraveling the Concerted Reaction Mechanism of the Noncatalyzed Mukaiyama Reaction between C,O,O-Tris(trimethylsilyl)ketene Acetal and Aldehydes Using Density Functional Theory
Mohamed SH, Trabelsi M, Champagne B
5658 - 5664 Gauge-Origin Independent Calculations of the Anisotropy of the Magnetically Induced Current Densities
Fliegl H, Juselius J, Sundholm D
5665 - 5684 Electronic Structure, NMR, Spin-Spin Coupling, and Noncovalent Interactions in Aromatic Amino Acid Based Ionic Liquids
Rao SS, Gejji SP
5685 - 5692 Theoretical Formalism To Estimate the Positron Scattering Cross Section
Singh S, Dutta S, Naghma R, Antony B
5693 - 5705 Conformational Transformations in Aromatic Nitroso Oxides
Yusupova AR, Safiullin RL, Khursan SL
5706 - 5714 Toward an Accurate and Inexpensive Estimation of CCSD(T)/CBS Binding Energies of Large Water Clusters
Sahu N, Singh G, Nandi A, Gadre SR
5715 - 5725 Concentration Dependent Specific Rotations of Chiral Surfactants: Experimental and Computational Studies
Covington CL, Polavarapu PL
5726 - 5735 Density Functional Theory Calculation of pK(a)'s of Thiols in Aqueous Solution Using Explicit Water Molecules and the Polarizable Continuum Model
Thapa B, Schlegel HB
5736 - 5744 Quantum Chemical Studies of the Substituent Effect on the Reaction of Carbonyl Oxime with Amine
Kaya Y
5745 - 5751 B4H4 and B-4(CH3)(4) as Unique Electron Donors in Hydrogen-Bonded and Halogen-Bonded Complexes
Del Bene JE, Alkorta I, Elguero J
5752 - 5765 DFT Calculations with van der Waals Interactions of Hydrated Calcium Carbonate Crystals CaCO3 center dot(H2O, 6H(2)O): Structural, Electronic, Optical, and Vibrational Properties
Costa SN, Freire VN, Caetano EWS, Maia FF, Barboza CA, Fulco UL, Albuquerque EL
5766 - 5772 The Nature of the Noncovalent Interactions between Benzene and C-60 Fullerene
Li MM, Wang YB, Zhang Y, Wang W