Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.121, No.18 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (27 articles)

3327 - 3339	Multiphase Photochemistry of Pyruvic Acid under Atmospheric Conditions Reed Harris AE, Pajunoja A, Cazaunau M, Gratien A, Pangui E, Monod A, Griffith EC, Virtanen A, Doussin JF, Vaida V
3340 - 3351	Theoretical Cross Sections of the Inelastic Fine Structure Transition M(P-2(1/2)) + Ng <-> M(P-2(3/2)) + Ng for M = K, Rb, and Cs and Ng = He, Ne, and Ar Lewis CD, Weeks DE
3352 - 3371	Molecular Products and Fundamentally Based Reaction Pathways in the Gas-Phase Pyrolysis of the Lignin Model Compound p-Coumaryl Alcohol Asatryan R, Bennadji H, Bozzelli JW, Ruckenstein E, Khachatryan L
3372 - 3382	Conformational Changes in 5-Methoxyindole: Effects Vibrational, and Electronic Excitations of Thermal, Vibrational, and Electronic Excitations Jesus AJL, Fausto R, Reva I
3383 - 3391	pi-Stacked Dimers of Fluorophenylacetylenes: Role of Dipole Moment Mondal SI, Sen S, Hazra A, Patwari GN
3392 - 3400	Experimental Evidence of Long-Range Intramolecular Vibrational Energy Redistribution through Eight Covalent Bonds: NIR Irradiation Induced Conformational Transformation of E-Glutaconic Acid Kovacs B, Kus N, Tarczay G, Fausto R
3401 - 3410	Furfural: The Unimolecular Dissociative Photoionization Mechanism of the Simplest Furanic Aldehyde Winfough M, Voronova K, Muller G, Laguisma G, Sztaray B, Bodi A, Meloni G
3411 - 3422	Cooperativity in Alcohol-Nitrogen Complexes: Understanding Cryomatrices through Slit Jet Expansions Oswald S, Wallrabe M, Suhm MA
3423 - 3429	Distinguishing Quinacridone Pigments via Terahertz Spectroscopy: Absorption Experiments and Solid-State Density Functional Theory Simulations Squires AD, Lewis RA, Zaczek AJ, Korter TM
3430 - 3436	Energy-Transfer Kinetics Driven by Midinfrared Amplified Spontaneous Emission after Two-Photon Excitation from Xe (s(0)) to the Xe (6p[1/2](0)) State He S, Guan YF, Liu D, Xia XS, Gai BD, Hu S, Guo JW, Sang FT, Jin YQ
3437 - 3451	Correlations between Structure and Near-Infrared Spectra of Saturated and Unsaturated Carboxylic Acids. Insight from Anharmonic Density Functional Theory Calculations Grabska J, Ishigaki M, Bec KB, Wojcik MJ, Ozaki Y
3452 - 3460	Kinetic Energy Density as a Predictor of Hydrogen-Bonded OH-Stretching Frequencies Lane JR, Hansen AS, Mackeprang K, Kjaergaard HG
3461 - 3468	Reaction Mechanism of 4-Chlorobiphenyl and the NO3 Radical: An Experimental and Theoretical Study Shi J, Bi WL, Li SM, Dong WB, Chen JM
3469 - 3485	Economical Doubly Electron-Attached Equation-of-Motion Coupled Cluster Methods with an Active-Space Treatment of Three-Particle One-Hole and Four-Particle Two-Hole Excitations Ajala AO, Shen J, Piecuch P
3486 - 3493	Electronic and Structural Study of ZnxSx [x=12, 16, 24, 28, 36, 48, 96, and 108] Cage Structures Bhusal S, Lopez JAR, Reveles JU, Baruah T, Zope RR
3494 - 3500	Toward the Mechanism of Perchlorinated Cyclopentasilane (Si5Cl10 ) Ring Flattening in the [Si5Cl10 center dot 2Cl](2-) Dianion Pokhodnya K, Anderson K, Kilina S, Boudjouk P
3501 - 3514	A Theoretical Study on Methane C-H Bond Activation by Bare [FeO](+/0/-) Wang Y, Sun XL, Zhang J, Li JL
3515 - 3525	Density Functional Theory and Car-Parrinello Molecular Dynamics Study of the Hydrogen-Producing Mechanism of the Co(dmgBF(2))(2) and Co(dmgH)(2) Cobaloxime Complexes in Acetonitrile Water-Solvent Chen JF, Sit PHL
3526 - 3539	NgMCp(+): Noble Gas Bound Half-Sandwich Complexes (Ng = He-Rn, M = Be-Ba, and Cp = eta(5)-C5H5) Saha R, Pan S, Chattaraj PK
3540 - 3554	Structure, Stability, and Electronic and Magnetic Properties of VGen (n=1-19) Clusters Siouani C, Mahtout S, Safer S, Rabilloud F
3555 - 3566	Signature of Congregated Effects of Mechanical and Electrical Anharmonicities, Fermi Resonances, and Dampings on the IR Spectra of Hydrogen Bonded Systems: Quantum Dynamic Study Rekik N
3567 - 3579	The Exciting Chemistry of 1,1-Diamino-2,2-dinitroethene and 1-Amino-1-hydrazino-2,2-dinitroethene Axthammer QJ, Krumm B, Klapotkee TM
3580 - 3587	Visualization of Electron Paramagnetic Resonance Hyperfine Structure Coupling Pathways Malkin VG, Malkina OL, Zhidomirov GM
3588 - 3597	Relativistic ab Initio Accurate Atomic Minimal Basis Sets: Quantitative LUMOs and Oriented Quasi-Atomic Orbitals for the Elements Li-Xe Schoendorff G, West AC, Schmidt MW, Ruedenberg K, Wilson AK, Gordon MS
3598 - 3605	Systematic Study on Hydrated Arginine: Clear Theoretical Evidence for the Canonical-to-Zwitterionic Structure Transition Li HB, Hu AD, Jiang J, Luo Y
3606 - 3615	Assembly of Effective Halide Receptors from Components. Comparing Hydrogen, Halogen, and Tetrel Bonds Scheiner S
3616 - 3626	Aromaticity of Nonplanar Fully Benzenoid Hydrocarbons Antic M, Furtula B, Radenkovic S