Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.124, No.16 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (29 articles)

3019 - 3025	Evolution of Radicals from the Photolysis of High Ionic Strength Alkaline Nitrite Solutions Walter ED, Schwarz KC, Kumar SA, Chen Y, Sassi M, Wang ZM, Rosso KM
3026 - 3030	Determination of the JP10+OH -> Product Reaction Rate with Measured Fuel Concentrations in Shock Tube Experiments Zaczek LT, Davidson DF, Hanson RK
3031 - 3037	Inter- and Intramolecular Vibrational Energy Flow in a Formamide- Water Complex Shin HK
3038 - 3047	Photochemistry of Amylene Double Bond in Clusters on Free Argon Nanoparticles Pysanenko A, Gamez F, Farnik M, Chalabala J, Slavicek P
3048 - 3054	Proton Transfer vs Complex Formation Channels in Ionized Formic Acid Dimer: A Direct Ab Initio Molecular Dynamics Study Tachikawa H
3055 - 3063	Accurate First-Principles Calculation of the Vibronic Spectrum of Stacked Perylene Tetracarboxylic Acid Diimides Mukazhanova A, Trerayapiwat KJ, Mazaheripour A, Wardrip AG, Frey NC, Nguyen H, Gorodetsky AA, Sharifzadeh S
3064 - 3076	Anomalous pH-Dependent Enhancement of p-Methyl Benzoic Acid Sum-Frequency Intensities: Cooperative Surface Adsorption Effects Andino RS, Liu J, Miller CM, Chen X, Devlin SW, Hong MK, Rajagopal R, Erramilli S, Ziegler LD
3077 - 3089	Quantitative Analysis of Infrared Spectra of Binary Alcohol plus Cyclohexane Solutions with Quantum Chemical Calculations Bala AM, Killian WG, Plascencia C, Storer JA, Norfleet AT, Peereboom L, Jackson JE, Lira CT
3090 - 3100	Threshold Collision-Induced Dissociation of Hydrated Thorium(IV) Trihydroxide Cation: Experimental and Theoretical Investigation of the Binding Energies for Th(OH)(3)(+)(H2O)(n) Complexes (n=1-4) Kafle A, Nwokolo C, Sanchez L, Armentrout PB
3101 - 3108	Bend-to-Break: Curvilinear Proton Transfer in Phenol-Ammonia Clusters Sadhukhan D, Hazra A, Patwari GN
3109 - 3119	Chemical Shift Tensors of Cimetidine Form A Modeled with Density Functional Theory Calculations: Implications for NMR Crystallography Holmes ST, Engl OG, Srnec MN, Madura JD, Quinones R, Harper JK, Schurko RW, Iuliucci RJ
3120 - 3134	From Neutral Aniline to Aniline Trication: A Computational and Experimental Study Gutsev GL, Pena HAL, McPherson SL, Boateng DA, Ramachandran BR, Gutsev LG, Tibbetts KM
3135 - 3148	Branching Ratios, Radiative Lifetimes, and Transition Dipole Moments for YbOH Mengesha ET, Le AT, Steimle TC, Cheng L, Zhang CQ, Augenbraun BL, Lasner Z, Doyle J
3149 - 3156	Nonmonotonous Lattice Distortion Model for Gas Hydrates Thakre N, Jana AK
3157 - 3169	Hyperfine Structure Constants on the Relativistic Coupled Cluster Level with Associated Uncertainties Haase PAB, Eliav E, Ilias M, Borschevsky A
3170 - 3179	Ion Pair Structures and Hydrogen Bonding in RnNH4-n Alkylammonium Ionic Liquids with Hydrogen Sulfate and Mesylate Anions by DFT Computations Fedorova IV, Safonova LP
3180 - 3190	Bent Allenes or Di-1,3-betaines-An Answer Given on the Magnetic Criterion Kleinpeter E, Koch A
3191 - 3204	Anharmonic Frequencies of (MO)(2) and Related Hydrides for M = Mg, Al, Si, P, S, Ca, and Ti and Heuristics for Predicting Anharmonic Corrections of Inorganic Oxides Westbrook BR, Fortenberry RC
3205 - 3213	Theoretical Study of the Negative Ion Photoelectron Spectrum of Cyclooctatetraene via Computation of Franck-Condon Factors Chang JL, Cheng MZ, Huang YJ
3214 - 3219	Velocity-Map Imaging and Magnetic-Bottle Photoelectron Spectroscopy of [SeCCH](-): Electronic Properties and Spin-Orbit Splitting Yuan QQ, Cao WJ, Hetzert M, Ruschewitz U, Wang XB
3220 - 3227	Combined Experimental and Theoretical Studies on Electron Transfer in Potassium Collisions with CCl4 Regeta K, Kumar S, Cunha T, Mendes M, Lozano AI, Pereira PJS, Garcia G, Moutinho AMC, Bacchus-Montabonel MC, Limao-Vieira P
3228 - 3241	Induced Fit of Crown Cavity to Ammonium Ion Guests and Photoinduced Intracavity Reactions: Cold Gas-Phase Spectroscopy of Dibenzo-18-Crown-6 Complexes with NH4+, CH3NH3+, and CH3CH2NH3+ Kubo M, Kida M, Muramatsu S, Inokuchi Y
3242 - 3248	Potential Energy Surface for the CH4-H-2 van der Waals Interaction Sahnoun E, Wiesenfeld L, Hammami K
3249 - 3260	Adsorption of Organic Acids and Phosphate to an Iron (Oxyhydr)oxide Mineral: A Combined Experimental and Density Functional Theory Study Ohno T, Kubicki JD
3261 - 3268	Glyoxylic Sulfuric Anhydride from the Gas-Phase Reaction between Glyoxylic Acid and SO3: A Potential Nucleation Precursor Rong H, Liu L, Liu JR, Zhang XH
3269 - 3275	Generalization of Langevin Dynamics from Spatio-Temporal Dressed Dynamics Perspective Zhu KC, Su HB
3276 - 3285	Symmetry-Based Crystal Structure Enumeration in Two Dimensions Pretti E, Shen VK, Mittal J, Mahynski NA
3286 - 3299	Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions Taylor MG, Yang T, Lin S, Nandy A, Janet JP, Duan CR, Kulik HJ
3300 - 3300	Comment on "Correct Symmetry Treatment for X plus X Reactions Prevents Large Errors in Predicted Isotope Enrichment" Pollak E, Pechukas P