Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.115, No.23 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (66 articles)

5709 - 5714	Tributes to Victoria Buch Gerber RB
5715 - 5716	My Sister Victoria Mayorek N
5723 - 5728	Charge Separation from the Bursting of Bubbles on Water Bhattacharyya I, Maze JT, Ewing GE, Jarrold MF
5729 - 5734	Heat of Freezing for Supercooled Water: Measurements at Atmospheric Pressure Cantrell W, Kostinski A, Szedlak A, Johnson A
5735 - 5744	A Density Functional Theory for Studying Ionization Processes in Water Clusters Livshits E, Granot RS, Baer R
5745 - 5758	Dielectric Constant of Ices and Water: A Lesson about Water Interactions Aragones JL, MacDowell LG, Vega C
5759 - 5766	Complexes of Molecular and Ionic Character in the Same Matrix Layer: Infrared Studies of the Sulfuric Acid/Ammonia System Rozenberg M, Loewenschuss A, Nielsen CJ
5767 - 5773	Computational Study of Ion Distributions at the Air/Liquid Methanol Interface Sun XQ, Wick CD, Dang LX
5774 - 5784	Calculated Nuclear Magnetic Resonance Parameters for Multiproton-Exchange and Nonbonded-Hydrogen Rotation Processes in Cyclic Water Clusters Cybulski H, Sadlej J
5785 - 5793	Thermal and Electron-Induced Decomposition of 2-Butanol on Pt(111) Hu XF, Rosenberg RA, Trenary M
5794 - 5809	Molecular Properties from Conformational Ensembles. 1. Dipole Moments of Molecules with Multiple Internal Rotations Lavy T, Harries D, Goldblum A
5810 - 5821	Nitrate Ion Photolysis in Thin Water Films in the Presence of Bromide Ions Richards NK, Wingen LM, Callahan KM, Nishino N, Kleinman MT, Tobias DJ, Finlayson-Pitts BJ
5822 - 5832	Controlling Nonclassical Content of Clathrate Hydrates Through the Choice of Molecular Guests and Temperature Monreal IA, Devlin JP, Maslakci Z, Cicek MB, Uras-Aytemiz N
5833 - 5837	Hot Injection Dynamics: Design Mechanisms and Ideas Katz G, Ratner MA, Kosloff R
5838 - 5846	Single Molecule Diffusion and the Solution of the Spherically Symmetric Residence Time Equation Agmon N
5847 - 5858	Unraveling Anharmonic Effects in the Vibrational Predissociation Spectra of H5O2+ and Its Deuterated Analogues Guasco TL, Johnson MA, McCoy AB
5859 - 5872	Vibrational Spectra of alpha-Glucose, beta-Glucose, and Sucrose: Anharmonic Calculations and Experiment Brauer B, Pincu M, Buch V, Bar I, Simons JP, Gerber RB
5873 - 5880	Behavior of beta-Amyloid 1-16 at the Air-Water Interface at Varying pH by Nonlinear Spectroscopy and Molecular Dynamics Simulations Miller AE, Petersen PB, Hollars CW, Saykally RJ, Heyda J, Jungwirth P
5881 - 5886	Behavior of the Eigen Form of Hydronium at the Air/Water Interface Jagoda-Cwiklik B, Cwiklik L, Jungwirth P
5887 - 5894	Simulating the Formation of Sodium: Electron Tight-Contact Pairs: Watching the Solvation of Atoms in Liquids One Molecule at a Time Glover WJ, Larsen RE, Schwartz BJ
5895 - 5899	Halide Affinity for the Water-Air Interface in Aqueous Solutions of Mixtures of Sodium Salts Gladich I, Shepson PB, Carignano MA, Szleifer I
5900 - 5907	Nanophase Segregation in Supercooled Aqueous Solutions and Their Glasses Driven by the Polyamorphism of Water Le L, Molinero V
5908 - 5917	Crystallization Kinetics and Excess Free Energy of H2O and D2O Nanoscale Films of Amorphous Solid Water Smith RS, Matthiesen J, Knox J, Kay BD
5918 - 5927	Aqua Ions-Graphene Interfacial and Confinement Behavior: Insights from Isobaric-Isothermal Molecular Dynamics Chialvo AA, Cummings PT
5928 - 5935	Simulated Photoelectron Spectra of the Cyanide-Water Anion via Quasiclassical Molecular Dynamics Lambrecht DS, Clark GNI, Head-Gordon T, Head-Gordon M
5936 - 5942	Probing the Interaction of Hydrogen Chloride with Low-Temperature Water Ice Surfaces Using Thermal and Electron-Stimulated Desorption Olanrewaju BO, Herring-Captain J, Grieves GA, Aleksandrov A, Orlando TM
5943 - 5954	Interaction in the Ternary Complexes of HNO3 center dot center dot center dot HCl center dot center dot center dot H2O: A Theoretical Study on Energetics, Structure, and Spectroscopy Balci FM, Uras-Aytemiz N
5955 - 5964	Evaluation of Theoretical Approaches for Describing the Interaction of Water with Linear Acenes Jenness GR, Karalti O, Al-Saidi WA, Jordan KD
5965 - 5972	Bulk and Interfacial Glass Transitions of Water Bhattacharya D, Payne CN, Sadtchenko V
5973 - 5982	The Ice-Vapor Interface and the Melting Point of Ice I-h for the Polarizable POL3 Water Model Muchova E, Gladich I, Picaud S, Hoang PNM, Roeselova M
5983 - 5991	Large Shift and Small Broadening of Br-2 Valence Band upon Dimer Formation with H2O: An Ab Initio Study Franklin-Mergarejo R, Rubayo-Soneira J, Halberstadt N, Ayed T, Bernal-Uruchurtu MI, Hernandez-Lamoneda R, Janda KC
5992 - 6001	Photodissociation of CH3I: A Full-Dimensional (9D) Quantum Dynamics Study Evenhuis CR, Manthe U
6002 - 6014	HCl Adsorption and Ionization on Amorphous and Crystalline H2O Films below 50 K Ayotte P, Marchand P, Daschbach JL, Smith RS, Kay BD
6015 - 6027	Consistency in the Sum Frequency Generation Intensity and Phase Vibrational Spectra of the Air/Neat Water Interface Feng RR, Guo Y, Lu R, Velarde L, Wang HF
6028 - 6038	Effect of Solvation on the Vertical Ionization Energy of Thymine: From Microhydration to Bulk Ghosh D, Isayev O, Slipchenko LV, Krylov AI
6039 - 6045	Hydrogen Bonding in the Hexagonal Ice Surface Barnett IL, Groenzin H, Shultz MJ
6046 - 6053	Semiempirical Self-Consistent Polarization Description of Bulk Water, the Liquid-Vapor Interface, and Cubic Ice Murdachaew G, Mundy CJ, Schenter GK, Laino T, Hutter J
6054 - 6058	Molecular Dynamics Study on the Microscopic Details of the Evaporation of Water Mason PE
6059 - 6067	Molecular Dynamics Simulation Study of Interaction between Model Rough Hydrophobic Surfaces Eun CS, Berkowitz ML
6068 - 6076	Sodium Microsolvation in Ethanol: Common Features of Na(HO-R)(n) (R = H, CH3, C2H5) Clusters Forck RM, Dauster I, Buck U, Zeuch T
6077 - 6087	Conformational Structure of Tyrosine, Tyrosyl-glycine, and Tyrosyl-glycyl-glycine by Double Resonance Spectroscopy Abo-Riziq A, Grace L, Crews B, Callahan MP, van Mourik T, de Vries MS
6088 - 6092	The Role of Hydrophobic Surfaces in Altering Water-Mediated Peptide-Peptide Interactions in an Aqueous Environment Yoo S, Xantheas SS
6093 - 6101	Closed Loop Coherent Control of Electronic Transitions in Gallium Arsenide Singha S, Hu Z, Gordon RJ
6102 - 6111	Molecular Dynamics Study of Carbon Dioxide Hydrate Dissociation Sarupria S, Debenedetti PG
6112 - 6124	Proton Transport in Triflic Acid Pentahydrate Studied via Ab Initio Path Integral Molecular Dynamics Hayes RL, Paddison SJ, Tuckerman ME
6125 - 6136	Can Simulations Quantitatively Predict Peptide Transfer Free Energies to Urea Solutions? Thermodynamic Concepts and Force Field Limitations Horinek D, Netz RR
6137 - 6148	Revisiting and Computing Reaction Coordinates with Directional Milestoning Kirmizialtin S, Elber R
6149 - 6154	Steric and Electronic Effects in the Host-Guest Hydrogen Bonding in Clathrate Hydrates Kulig W, Kubisiak P, Cwiklik L
6155 - 6168	Photochemistry of Hydrogen Halides on Water Clusters: Simulations of Electronic Spectra and Photodynamics, and Comparison with Photodissociation Experiments Oncak M, Slavicek P, Farnik M, Buck U
6169 - 6176	Structures of the I-, II- and H-Methane Clathrates and the Ice-Methane Clathrate Phase Transition from Quantum-Chemical Modeling with Force-Field Thermal Corrections Lenz A, Ojamae L
6177 - 6183	Structure and Dynamics of Water Dangling OH Bonds in Hydrophobic Hydration Shells. Comparison of Simulation and Experiment Tomlinson-Phillips J, Davis J, Ben-Amotz D, Spangberg D, Pejov L, Hermansson K
6184 - 6193	Comparative Molecular Dynamics Study of Vapor-Exposed Basal, Prismatic, and Pyramidal Surfaces of Ice Pfalzgraff W, Neshyba S, Roeselova M
6194 - 6201	Gas-Surface Scattering Dynamics of CO2, NO2, and O-3 in Collisions with Model Organic Surfaces Lu JW, Morris JR
6202 - 6207	Non-Joule Heating of Ice in an Electric Field Petrenko VF, Ryzhkin IA
6208 - 6217	Vibronic Spectra of Jet-Cooled 2-Aminopurine center dot H2O Clusters Studied by UV Resonant Two-Photon Ionization Spectroscopy and Quantum Chemical Calculations Sinha RK, Lobsiger S, Trachsel M, Leutwyler S
6218 - 6225	Effect of Nitrogen Adsorption on the Mid-Infrared Spectrum of Water Clusters Hujo W, Gaus M, Schultze M, Kubar T, Grunenberg J, Elstner M, Bauerecker S
6226 - 6232	Dynamical Properties of Hydrogen Sulphide Motion in its Clathrate Hydrate from Ab Initio and Classical Isobaric Isothermal Molecular Dynamics English NJ, Tse JS
6233 - 6238	Phase-Sensitive Sum Frequency Revealing Accommodation of Bicarbonate Ions, and Charge Separation of Sodium and Carbonate Ions within the Air/Water Interface Hua W, Chen XK, Allen HC
6239 - 6249	Flexible H2O2 in Water: Electronic Structure from Photoelectron Spectroscopy and Ab Initio Calculations Thurmer S, Seidel R, Winter B, Oncak M, Slavicek P
6250 - 6259	Selective Ablation of Xe from Silicon Surfaces: Molecular Dynamics Simulations and Experimental Laser Patterning Stein O, Lin ZB, Zhigilei LV, Asscher M
6260 - 6268	Fast and Slow Components in the Crystallization of a Model Multicomponent System, NaKCa(NO3): The Role of Composition Fluctuations Wen P, Harrowell P, Angell CA
6269 - 6284	Quantum Wavepacket Ab Initio Molecular Dynamics for Extended Systems Li XH, Iyengar SS
6285 - 6296	Analysis of the Subcritical Carbon Dioxide-Water Interface Zhang H, Singer SJ
6297 - 6305	High-Resolution IR Spectroscopy of Dimers of HDO with H2O in Helium Nanodroplets Gutberlet A, Schwaab G, Havenith M
6306 - 6316	Molecular Simulation Study of Water Mobility in Aerosol-OT Reverse Micelles Chowdhary J, Ladanyi BM
6317 - 6317	Reactions of HCl and D2O with Molten Alkali Carbonates (vol 115, pg 482, 2011) Krebs T, Nathanson GM