Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.113, No.32 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (27 articles)

9051 - 9056	Chaotic Synchronization under Unidirectional Coupling: Numerics and Experiments Cruz JM, Rivera M, Parmananda P
9057 - 9064	Photodissociation of 2-Iodoethanol within the A Band Shubert VA, Rednic M, Pratt ST
9065 - 9074	External Force Affected Escape of Brownian Particles from a Potential Well Shushin AI
9075 - 9079	Conformational Changes in a Flexible, Encapsulated Dicarboxylate: Evidence from Density Functional Theory Simulations Kachmar A, Benard M, Rohmer MM, Boero M, Massobrio C
9080 - 9091	Experimental Detection and Theoretical Characterization of Germanium-Doped Lithium Clusters LinGe (n=1-7) Ngan VT, De Haeck J, Le HT, Gopakumar G, Lievens P, Nguyen MT
9092 - 9101	Quantum Chemical Study of Trimolecular Reaction Mechanism between Nitric Oxide and Oxygen in the Gas Phase Gadzhiev OB, Ignatov SK, Razuvaev AG, Masunov AE
9102 - 9108	Reaction Routes Leading to CO2 and CO in the Briggs-Rauscher Oscillator: Analogies between the Oscillatory BR and BZ Reactions Muntean N, Szabo G, Wittmann M, Lawson T, Fulop J, Noszticzius Z, Onel L
9109 - 9114	Steric Effects and Solvent Effects on S(N)2 Reactions Kim Y, Cramer CJ, Truhlar DG
9115 - 9123	Hydrolysis Mechanisms for the Organopalladium Complex [Pd(CNN)P(OMe)(3)]BF4 in Sulfuric Acid Garcia B, Hoyuelos FJ, Ibeas S, Munoz MS, Penacoba I, Leal JM
9124 - 9132	Calculation of Overtone O-H Stretching Bands and Intensities of the Water Trimer Salmi T, Kjaergaard HG, Halonen L
9133 - 9137	High-Pressure Far- and Mid-Infrared Study of 1,3,5-Triamino-2,4,6-trinitrobenzene Pravica M, Yulga B, Tkachev S, Liu ZX
9138 - 9149	Thermodynamic Role of Glutathione Oxidation by Peroxide and Peroxybicarbonate in the Prevention of Alzheimer's Disease and Cancer Galant NJ, Wang H, Lee DR, Mucsi Z, Setiadi DH, Viskolcz B, Csizmadia IG
9150 - 9156	Accurate Calculation of Zero-Field Splittings of (Bio)inorganic Complexes: Application to an {FeNO}(7) (S=3/2) Compound Aquino F, Rodriguez JH
9157 - 9164	Stability and Conformation of Polycopper-Thiolate Clusters Studied by Density Functional Approach Ahte P, Palumaa P, Tamm T
9165 - 9173	Path Integral Studies of the Rotations of Methane and Its Heavier Isotopomers in He-4 Nanoclusters Markovskiy ND, Mak CH
9174 - 9179	Solvent-Dependent Structural and Electronic Behaviors of a Push-Pull Molecule: {4-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]cyclohexa-2,5-dien-1-y lidene}malononitrile Hiramatsu T, Yoshida H, Sato N
9180 - 9184	An Alternative Mechanism to Explain the Ruthenium(II)-Catalyzed [2+2+2] Cycloaddition of 1,6-Diynes and Tricarbonyl Compounds Montero-Campillo MM, Rodriguez-Otero J, Cabaleiro-Lago EM
9185 - 9192	Measurements of the Rotational Spectra of Phenol and 2-Pyrone and Computational Studies of the H-Bonded Phenol-Pyrone Dimer Tanjaroon C, Kukolich SG
9193 - 9201	Ab Initio Modeling of Proton Transfer in Phosphoric Acid Clusters Vilciauskas L, Paddison SJ, Kreuer KD
9202 - 9206	Density Functional Studies of Iron-Porphyrin Cation with Small Ligands X (X: O, CO, NO, O-2, N-2, H2O, N2O, CO2) Abdurahman A, Renger T
9207 - 9212	An Accurate Calculation of Electronic Contribution to Static Permittivity Tensor for Organic Molecular Crystals on the Basis of the Charge Response Kernel Theory Tsutsumi J, Yoshida H, Murdey R, Kato S, Sato N
9213 - 9219	Potential Energy Surface for Ground-State H2S via Scaling of the External Correlation, Comparison with Extrapolation to Complete Basis Set Limit, and Use in Reaction Dynamics Song YZ, Caridade PJSB, Varandas AJC
9220 - 9230	Molecular Structure, Infrared Spectra, and Photochemistry of Isoniazid under Cryogenic Conditions Borba A, Gomez-Zavaglia A, Fausto R
9231 - 9236	Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal-Salens: The d(6)-Metals Takatani T, Sears JS, Sherrill CD
9237 - 9242	Structure, Stability, Thermodynamic Properties, and IR Spectra of the Protonated Water Decamer H+(H2O)(10) Karthikeyan S, Kim KS
9243 - 9248	Theoretical Mechanism Study of UF6 Hydrolysis in the Gas Phase (II) Hu SW, Wang XY, Chu TW, Liu XQ
9249 - 9260	Differential Polarization of Spin and Charge Density in Substituted Phenoxy Radicals Fehir RJ, McCusker JK