Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.117, No.2 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (29 articles)

267 - 274	Potential-Dependent Topological Modes in the Mercury Beating Heart System Verma DK, Contractor AQ, Parmananda P
275 - 282	Kinetics of the Hydrogen Atom Abstraction Reactions from 1-Butanol by Hydroxyl Radical: Theory Matches Experiment and More Seal P, Oyedepo G, Truhlar DG
283 - 290	Kinetics of the Reaction of Crystal Violet with Hydroxide Ion in the Critical Solution of 2-Butoxyethanol plus Water Du ZY, Mao SY, Chen ZY, Shen WG
291 - 299	Oxidation Reactions of Thymol: A Pulse Radiolysis and Theoretical Study Venu S, Naik DB, Sarkar SK, Aravind UK, Nijamudheen A, Aravindakumar CT
300 - 310	Resonance Raman Intensity Analysis of ClNO2 Dissolved in Methanol Trimithioti M, Hayes SC
311 - 314	Conformational Landscape of Diisopropyl Ketone: Quantum Chemical Calculations Validated by Microwave Spectroscopy Zhao YY, Mouhib H, Stahl W
315 - 323	Theoretical Study of Internal Vibrational Relaxation and Energy Transport in Polyatomic Molecules Tesar SL, Kasyanenko VM, Rubtsov IV, Rubtsov GI, Burin AL
324 - 332	Fluorescent Species Formed by Reaction of Trinitroaromatics with N,N-Dimethylformamide and Hydroxide Latendresse CA, Fernandes SC, You SM, Zhang HQ, Euler WB
333 - 341	Neutral-Fragmentation Paths of Methane Induced by Intense Ultrashort IR Laser Pulses: Ab Initio Molecular Orbital Approach Koseki S, Shimakura N, Teranishi Y, Lin SH, Fujimura Y
342 - 350	Tracking the Mechanism of Fibril Assembly by Simulated Two-Dimensional Ultraviolet Spectroscopy Lam AR, Rodriguez JJ, Rojas A, Scheraga HA, Mukamel S
351 - 360	Electronic Spectra and Reversible Photoisomerization of Protonated Naphthalenes in Solid Neon Garkusha I, Nagy A, Fulara J, Rode MF, Sobolewski AL, Maier JP
361 - 369	X-ray Absorption Spectroscopy of Ground and Excited Rhenium-Carbonyl Diimine-Complexes: Evidence for a Two-Center Electron Transfer El Nahhas A, van der Veen RM, Penfold TJ, Pham VT, Lima FA, Abela R, Blanco-Rodriguez AM, Zalis S, Vlcek A, Tavernelli I, Rothlisberger U, Milne CJ, Chergui M
370 - 377	Multifaceted Ultrafast Intramolecular Charge Transfer Dynamics of 4-(Dimethylamino)benzonitrile (DMABN) Park M, Kim CH, Joo T
378 - 392	Thermochemical Properties of Methyl-Substituted Cyclic Alkyl Ethers and Radicals for Oxiranes, Oxetanes, and Oxolanes: C-H Bond Dissociation Enthalpy Trends with Ring Size and Ether Site Auzmendi-Murua I, Charaya S, Bozzelli JW
393 - 400	Interaction of OH Radicals with Arizona Test Dust: Uptake and Products Bedjanian Y, Romanias MN, El Zein A
401 - 409	Adsorption of Acetic Acid on Ice Studied by Ambient-Pressure XPS and Partial-Electron-Yield NEXAFS Spectroscopy at 230-240 K Krepelova A, Bartels-Rausch T, Brown MA, Bluhm H, Ammann M
410 - 420	Mass Accommodation of Water: Bridging the Gap Between Molecular Dynamics Simulations and Kinetic Condensation Models Julin J, Shiraiwa M, Miles REH, Reid JP, Poschl U, Riipinen I
421 - 429	Thermochemical Properties for Isooctane and Carbon Radicals: Computational Study Snitsiriwat S, Bozzelli JW
430 - 438	Theoretical Study of Sensitizer Candidates for Dye-Sensitized Solar Cells: Peripheral Substituted Dizinc Pyrazinoporphyrazine-Phthalocyanine Complexes Zarate X, Schott E, Gomez T, Arratia-Perez R
439 - 450	Theoretical Study of Photochemical Hydrogen Abstraction by Triplet Aliphatic Carbonyls by Using Density Functional Theory Firme CL, Garden SJ, de Lucas NC, Nicodem DE, Correa RJ
451 - 459	Proton Transfer in Th(IV) Hydrate Clusters: A Link to Hydrolysis of Th(OH)(2)(2+) to Th(OH)(3)(+) in Aqueous Solution Rutkowski PX, Michelini MD, Gibson JK
460 - 472	Effect of Substituents on the Preferred Modes of One-Electron Reductive Cleavage of N-Cl and N-Br Bonds O'Reilly RJ, Karton A, Radom L
473 - 480	Calculated pK(a)'s of the DNA Base Radical Ions Close DM
481 - 488	Electronic Rearrangements during the Inversion of Lead Phthalocyanine Nizovtsev AS, Kozlova SG
489 - 496	Preferred Configurations of Peptide-Peptide Interactions Adhikari U, Scheiner S
497 - 503	Interpretation of Crystal Effects on NMR Chemical Shift Tensors: Electron and Shielding Deformation Densities Babinsky M, Bouzkova K, Pipiska M, Novosadova L, Marek R
504 - 517	Au-67(SR)(35) Nanomolecules: Characteristic Size-Specific Optical, Electrochemical, Structural Properties and First-Principles Theoretical Analysis Nimmala PR, Yoon B, Whetten RL, Landman U, Dass A
518 - 523	Magnetic Shielding in and around Benzene and Cyclobutadiene: A Source of Information about Aromaticity, Antiaromaticity, and Chemical Bonding Karadakov PB, Horner KE
524 - 524	Observation of the Binary Coalescence and Equilibration of Micrometer-Sized Droplets of Aqueous Aerosol in a Single-Beam Gradient-Force Optical Trap (vol 116, pg 8873, 2012) Power R, Reid JP, Anand S, McGloin D, Almohammedi A, Mistry NS, Hudson AJ