Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.115, No.44 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (41 articles)

12055 - 12069	Theory of Nonrigid Rotational Motion Applied to NMR Relaxation in RNA Emani PS, Olsen GL, Varani G, Drobny GP
12070 - 12082	Theoretical Molecular Double-Core-Hole Spectroscopy of Nucleobases Takahashi O, Tashiro M, Ehara M, Yamasaki K, Ueda K
12083 - 12096	Fewest-Switches Surface Hopping and Decoherence in Multiple Dimensions Subotnik JE
12097 - 12104	Fourier Transform Infrared Spectroscopy and Theoretical Study of Dimethylamine Dimer in the Gas Phase Du L, Kjaergaard HG
12105 - 12110	H-2 Molecules Encapsulated in Extended Be-n Cluster Cages: Toward Light-Metal Nanofoams for Hydrogen Storage Naumkin FY, Wales DJ
12111 - 12119	Intramolecular Excimer Formation for Covalently Linked Boron Dipyrromethene Dyes Alamiry MAH, Benniston AC, Copley G, Harriman A, Howgego D
12120 - 12125	Real-Time Probing of Structural Dynamics by Interaction between Chromophores Brogaard RY, Moller KB, Solling TI
12126 - 12131	Interaction Potentials of Uranium Cations with Rare Gases (RG) and Transport of U+ in RG (RG = He, Ne, Ar, Kr, and Xe) Lee EPF, Viehland LA, Johnsen R, Breckenridge WH, Wright TG
12132 - 12141	Laser Spark Formamide Decomposition Studied by FT-IR Spectroscopy Ferus M, Kubelik P, Civis S
12142 - 12149	UV-Induced Hydrogen-Atom Transfer in 3,6-Dithiopyridazine and in Model Compounds 2-Thiopyridine and 3-Thiopyridazine Rostkowska H, Lapinski L, Reva I, Almeida BJAN, Nowak MJ, Fausto R
12150 - 12160	Polarized IR Spectra of the Hydrogen Bond in Two Different Oxindole Polymorphs with Cyclic Dimers in Their Lattices Flakus HT, Hachula B
12161 - 12172	Kinetics Studies of the Gas-Phase Reactions of NO3 Radicals with Series of 1-Alkenes, Dienes, Cycloalkenes, Alkenols, and Alkenals Zhao ZJ, Husainy S, Smith GD
12173 - 12183	Kinetics of the NCCO + NO2 Reaction Feng WH, Hershberger JF
12184 - 12193	Kinetics of Photochromic Conversion at the Solid State: Quantum Yield of Dithienylethene-Based Films Pariani G, Bianco A, Castagna R, Bertarelli C
12194 - 12200	The HRuCCH, RuCCH2, and Ru-eta(2)-C2H2 Molecules: Infrared Spectra and Density Functional Calculations Wang Q, Wang XF, Andrews L
12201 - 12211	High-Resolution Solid-State H-2 NMR Spectroscopy of Polymorphs of Glycine Aliev AE, Mann SE, Rahman AS, McMillan PF, Cora F, Iuga D, Hughes CE, Harris KDM
12212 - 12216	Time-Dependent Radiolytic Yield of OH center dot Radical Studied by Picosecond Pulse Radiolysis El Omar AK, Schmidhammer U, Jeunesse P, Larbre JP, Lin MZ, Muroya Y, Katsumura Y, Pernot P, Mostafavi M
12217 - 12227	Photophysics of Untethered ZnTPP-Fullerene Complexes in Solution Sugunan SK, Robotham B, Sloan RP, Szmytkowski J, Ghiggino KP, Paige MF, Steer RP
12228 - 12234	C-H center dot center dot center dot pi Interactions in the CHBrF2 center dot center dot center dot HCCH Weakly Bound Dimer Obenchain DA, Bills BJ, Christenholz CL, Elmuti LF, Peebles RA, Peebles SA, Neill JL, Steber AL
12235 - 12242	Near-Ultraviolet Absorption Cross Sections of Nitrophenols and Their Potential Influence on Tropospheric Oxidation Capacity Chen J, Wenger JC, Venables DS
12243 - 12250	CO2 Capture at Low Temperatures (30-80 degrees C) and in the Presence of Water Vapor over a Thermally Activated Mg-Al Layered Double Hydroxide Torres-Rodriguez DA, Lima E, Valente JS, Pfeiffer H
12251 - 12258	Peculiarities of the Environmental Influence on the Optical Properties of Push-Pull Nonlinear Optical Molecules: A Theoretical Study Makowska-Janusik M, Kityk IV, Kulhanek J, Bures F
12259 - 12270	Chemical Bonding and the Equilibrium Composition of Grignard Reagents in Ethereal Solutions Henriques AM, Barbosa AGH
12271 - 12279	Thermodynamic Analysis of Strain in Heteroatom Derivatives of Indene Verevkin SP, Emel'yanenko VN, Pimerzin AA, Vishnevskaya EE
12280 - 12285	Transition Dipole Moments of the Q(y) Band in Photosynthetic Pigments Oviedo MB, Sanchez CG
12286 - 12297	Quantum Chemistry Studies of Electronically Excited Nitrobenzene, TNA, and TNT Quenneville J
12298 - 12306	Computational Studies on Structural and Excited-State Properties of Modified Chlorophyll f with Various Axial Ligands Yamijala SRKCS, Periyasamy G, Pati SK
12307 - 12314	Growth and Structural Properties of Mg-N (N=10-56) Clusters: Density Functional Theory Study Heidari I, De S, Ghazi SM, Goedecker S, Kanhere DG
12315 - 12320	Electronic Structure and Stability of Fullerene C-82 Isolated-Pentagon-Rule Isomers Khamatgalimov AR, Kovalenko VI
12321 - 12330	Concerted or Stepwise Hydrogen Transfer in the Transfer Hydrogenation of Acetophenone Catalyzed by Ruthenium-Acetamido Complex: A Theoretical Mechanistic Investigation Guo XJ, Tang YH, Zhang X, Lei M
12331 - 12339	MRDCI Study of the Low-Lying Electronic States of PbSi Chakrabarti S, Samanta PN, Das KK
12340 - 12347	Halogen Bond and Its Counterparts: Bent's Rule Explains the Formation of Nonbonding Interactions Grabowski SJ
12348 - 12356	DFT Studies of the Interactions of a Graphene Layer with Small Water Aggregates Freitas RRQ, Rivelino R, Mota FD, de Castilho CMC
12357 - 12363	DFT and AIM Study of the Protonation of Nitrous Acid and the pK(a) of Nitrous Acidium Ion Crugeiras J, Rios A, Maskill H
12364 - 12372	Regression Formulas for Density Functional Theory Calculated H-1 and C-13 NMR Chemical Shifts in Toluene-d(8) Konstantinov IA, Broadbelt LJ
12373 - 12379	Effective Fragment Potential Study of the Influence of Hydration on the Vibrational Spectrum of Glucose Vrancic C, Petrich W
12380 - 12389	Femtosecond Rotational Raman Coherence Spectroscopy of Cyclohexane in a Pulsed Supersonic Jet Brugger G, Frey HM, Steinegger P, Kowalewski P, Leutwyler S
12390 - 12398	Ab Initio Based Double-Sheeted DMBE Potential Energy Surface for N-3((2)A'') and Exploratory Dynamics Calculations Galvao BRL, Varandas AJC
12399 - 12409	Predicting Solvent Stability in Aprotic Electrolyte Li-Air Batteries: Nucleophilic Substitution by the Superoxide Anion Radical (O-2(center dot-)) Bryantsev VS, Giordani V, Walker W, Blanco M, Zecevic S, Sasaki K, Uddin J, Addison D, Chase GV
12410 - 12418	Terahertz Spectroscopy and Solid-State Density Functional Theory Simulations of the Improvised Explosive Oxidizers Potassium Nitrate and Ammonium Nitrate Witko EM, Buchanan WD, Korter TM
12419 - 12425	Analysis of Electronic States and Energy Level Structure of Uranyl in Compounds Liu GK