Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.115, No.17 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (50 articles)

4115 - 4134	Theoretical Study of [Ni (H2O)(n)](2+)(H2O)(m) (n <= 6, m <= 18) Bustamante M, Valencia I, Castro M
4135 - 4147	Nonadiabatic Decomposition of Gas-Phase RDX through Conical Intersections: An ONIOM-CASSCF Study Bhattacharya A, Bernstein ER
4148 - 4156	Infrared Predissociation Spectroscopy of M+(C6F6)(1-4)(H2O)(1-2)Ar0-1 Cluster Ions, M = Li, Na Beck JP, Lisy JM
4157 - 4168	Synthesis, Optical Characterization, and Electrochemical Properties of Isomeric Tetraphenylbenzodifurans Containing Electron Acceptor Groups Santos-Perez J, Crespo-Hernandez CE, Reichardt C, Cabrera CR, Feliciano-Ramos I, Arroyo-Ramirez L, Meador MA
4169 - 4178	Equilibration of Vibrationally Excited OH in Atomic and Diatomic Bath Gases McCaffery AJ, Pritchard M, Turner JFC, Marsh RJ
4179 - 4185	Unimolecular Chemistry of Doubly Protonated Zwitterionic Clusters Yoo EJH, Feketeova L, Khairallah GN, O'Hair RAJ
4186 - 4194	Formation of Molecular Halide Ions from Alkyl-Halide Clusters Irradiated by ps and fs Laser Pulses Karras G, Danakas S, Kosmidis C
4195 - 4201	Tautomerism in 7-Hydroxyquinoline: A Combined Experimental and Theoretical Study in Water Al-Lawatia N, Husband J, Steinbrecher T, Abou-Zied OK
4202 - 4213	Effects of Dynamical Couplings in IR Spectra of the Hydrogen Bond in N-Phenylacrylamide Crystals Flakus HT, Michta A, Nowak M, Kusz J
4214 - 4222	Raman Spectroscopic Study of Tungsten(VI) Oxosulfato Complexes in WO3-K2S2O7-K2SO4 Molten Mixtures: Stoichiometry, Vibrational Properties, and Molecular Structure Paulsen AL, Kalampounias AG, Berg RW, Boghosian S
4223 - 4230	Mercury Ions Complexation with a Series of Heterocyclic Derivatives of 3-Hydroxychromone: Spectral Effects and Prospects for Ultrasensitive Hg2+ Probing Svechkarev D, Dereka B, Doroshenko A
4231 - 4240	Time-Resolved Gas-Phase Kinetic, Quantum Chemical, and RRKM Studies of Reactions of Silylene with Alcohols Becerra R, Cannady JP, Walsh R
4241 - 4247	Temperature Dependent Absorption Spectra of Br-, Br-2(center dot-), and Br-3(-) in Aqueous Solutions Lin MZ, Archirel P, Van-Oanh NT, Muroya Y, Fu HY, Yan Y, Nagaishi R, Kumagai Y, Katsumura Y, Mostafavi M
4248 - 4254	Vacuum Ultraviolet Negative Photoion Spectroscopy of Chloroform Chen LL, Xu YF, Feng Q, Tian SX, Liu FY, Shan XB, Sheng LS
4255 - 4262	Relation between Two-Photon Absorption and Dipolar Properties in a Series of Fluorenyl-Based Chromophores with Electron Donating or Electron Withdrawing Substituents Rebane A, Drobizhev M, Makarov NS, Beuerman E, Haley JE, Douglas MK, Burke AR, Flikkema JL, Cooper TM
4263 - 4269	Quantum Chemical and Theoretical Kinetics Study of the O(P-3) + CS2 Reaction Saheb V
4270 - 4278	Long-Term gamma-Radiolysis Kinetics of NO3- and NO2- Solutions Yakabuskie PA, Joseph JM, Stuart CR, Wren JC
4279 - 4287	Solid State and Solution Nitrate Photochemistry: Photochemical Evolution of the Solid State Lattice Asher SA, Tuschel DD, Vargson TA, Wang L, Geib SJ
4288 - 4298	Synthesis and Photopysical Properties of a Polioxo Ethylene Chain Alkaline Earth Metal Fluorescent Sensor with 2-Aminoanthracene As Terminal Group Xu C, Liu WS, Qin WW
4299 - 4306	Analytical Expression of Non-Steady-State Concentrations and Current Pertaining to Compounds Present in the Enzyme Membrane of Biosensor Shanmugarajan A, Alwarappan S, Rajendran L
4307 - 4316	Measuring Molecular Dynamics and Activation Energies for Quaternary Acyclic Ammonium and Cyclic Pyrrolidinium Ionic Liquids Using N-14 NMR Spectroscopy Alam TM, Dreyer DR, Bielwaski CW, Ruoff RS
4317 - 4325	Electron Recombination in Ionized Liquid Argon: A Computational Approach Based on Realistic Models of Electron Transport and Reactions Jaskolski M, Wojcik M
4326 - 4333	Direct and Indirect Radiolytic Effects in Highly Concentrated Aqueous Solutions of Bromide Balcerzyk A, LaVerne J, Mostafavi M
4334 - 4341	Microwave Spectrum, Conformational Composition, and Intramolecular Hydrogen Bonding of (2-Chloroethyl)amine (ClCH2CH2NH2) Mollendal H, Samdal S, Guillemin JC
4342 - 4353	Comparative Matrix Isolation Infrared Spectroscopy Study of 1,3-and 1,4-Diene Monoterpenes (alpha-Phellandrene and gamma-Terpinene) Marzec KM, Reva I, Fausto R, Proniewicz LM
4354 - 4358	Kinetics of the Wurtzite-to-Rock-Salt Phase Transformation in ZnO at High Pressure Solozhenko VL, Kurakevych OO, Sokolov PS, Baranov AN
4359 - 4372	H-2 NMR Study of Dynamics of Benzene-d(6) Interacting with Humic and Fulvic Acids Eastman MA, Brothers LA, Nanny MA
4373 - 4380	Spectroscopic Evidence of Keto-Enol Tautomerism in Deliquesced Malonic Acid Particles Ghorai S, Laskin A, Tivanski AV
4381 - 4387	Pressure Dependence of Stabilized Criegee Intermediate Formation from a Sequence of Alkenes Drozd GT, Donahue NM
4388 - 4396	Solubility of Acetic Acid and Trifluoroacetic Acid in Low-Temperature (207-245 K) Sulfuric Acid Solutions: Implications for the Upper Troposphere and Lower Stratosphere Andersen MPS, Axson JL, Michelsen RRH, Nielsen OJ, Iraci LT
4397 - 4405	A Computationally Efficient and Reliable Bond Order Measure Mera-Adasme R, Mendizabal F, Olea-Azar C, Miranda-Rojas S, Fuentealba P
4406 - 4415	Fisher Information and Steric Effect: Study of the Internal Rotation Barrier of Ethane Esquivel RO, Liu SB, Angulo JC, Dehesa JS, Antolin J, Molina-Espiritu M
4416 - 4426	[CuCl3](-) and [CuCl4](2-) Hydrates in Concentrated Aqueous Solution: A Density Functional Theory and ab Initio Study Yi HB, Xia FF, Zhou QB, Zeng DW
4427 - 4435	Molecular Dynamics and Ion Mobility Spectrometry Study of Model beta-Hairpin Peptide, Trpzip1 Chen LX, Shao Q, Gao YQ, Russell DH
4436 - 4447	First-Principles Calculations of the Electronic and Geometrical Structures of Neutral [Sc,O,H] Molecules and the Monocations, ScOH0,+ and HScO0,+ Miliordos E, Hunt KLC
4448 - 4456	Infrared Electroabsorption Spectroscopy of N,N-Dimethyl-p-nitroaniline in Acetonitrile/C2Cl4: Solvation of the Solute and Self-Association of Acetonitrile Wang WC, Shigeto S
4457 - 4466	Halogen-Hydride interaction between Z-X (Z = CN, NC; X = F, Cl, Br) and H-Mg-Y (Y = H, F, Cl, Br, CH3) Mohajeri A, Alipour M, Mousaee M
4467 - 4475	How Does Halogen Bonding Behave in Solution? A Theoretical Study Using Implicit Solvation Model Lu YX, Li HY, Zhu X, Zhu WL, Liu HL
4476 - 4481	Kinetics of Al+H2O Reaction: Theoretical Study Sharipov A, Titova N, Starik A
4482 - 4490	Joint Experimental and Theoretical Analysis of Order Disorder Effects in Cubic BaZrO3 Assembled Nanoparticles under Decaoctahedral Shape Moreira ML, Buzolin PGC, Longo VM, Nicoleti NH, Sambrano JR, Li MS, Varela JA, Longo E
4491 - 4504	Mononuclear Homoleptic Allyl Complexes of the First Row Transition Metals: Species with Unusual Metal Electronic Configurations Pu MP, Li QS, Xie YM, King RB, Schaefer HF
4505 - 4510	The 1:1 Host-Guest Complexation between Cucurbit[7]uril and Styryl Dye Ivanov DA, Petrov NK, Nikitina EA, Basilevsky MV, Vedernikov AI, Gromov SP, Alfimov MV
4511 - 4520	Structures, Energies, and Spin-Spin Coupling Constants of Fluoro-Substituted 1,3-Diborata-2,4-diphosphoniocyclobutanes: Four-Member B-P-B-P Rings B2P2FnH8-n with n=0, 1, 2, 4 Del Bene JE, Alkorta I, Elguero J
4521 - 4529	High-Pressure Study of Lithium Azide from Density-Functional Calculations Babu KR, Lingam CB, Tewari SP, Vaitheeswaran G
4530 - 4534	Origin of the Unusual Ultraviolet Absorption of Arsenicin A Arulmozhiraja S, Coote ML, Lu D, Salem G, Wild SB
4535 - 4546	Theoretical Studies of Electron Transport in Thiophene Dimer: Effects of Substituent Group and Heteroatom Yuan SD, Dai CL, Weng JN, Mei QB, Ling QD, Wang LH, Huang W
4547 - 4552	d-d Spectra of Transition-Metal Carbodiimides and Hydrocyanamides as Derived from Many-Particle Effective Hamiltonian Calculations Tchougreeff AL, Dronskowski R
4553 - 4557	Correlation between the out-of-Plane Components of Magnetizability and Central Magnetic Shielding in Unsaturated Cyclic Molecules Pelloni S, Lazzeretti P
4558 - 4562	Structural and Vibrational Properties of Arsenic Sulfides: Alacranite (As8S9) Pagliai M, Bonazzi P, Bindi L, Muniz-Miranda M, Cardini G
4563 - 4563	From Water Clustering to Osmotic Coefficients (vol 114, pg 11933, 2010) Frosch M, Bilde M, Nielsen OF