Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.101, No.30 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (32 articles)

5383 - 5403	A Quantum-Chemical View of Density-Functional Theory Baerends EJ, Gritsenko OV
5404 - 5411	Carbon-Oxygen Bond Strength in Diphenyl Ether and Phenyl Vinyl Ether - An Experimental and Computational Study Vanscheppingen W, Dorrestijn E, Arends I, Mulder P, Korth HG
5412 - 5417	Exciplex Formation Dynamics of Photoexcited Copper(II) Tetrakis(4-N-Methylpyridyl)Porphyrin with Synthetic Polynucleotides Probed by Transient Absorption and Raman-Spectroscopic Techniques Jeoung SC, Eom HS, Kim D, Cho DW, Yoon M
5418 - 5422	Photophysical Properties of C-60(C6H5)(5)Cl - A Laser Flash-Photolysis and Pulse-Radiolysis Study Palit DK, Mohan H, Birkett PR, Mittal JP
5423 - 5430	Single-Crystal Cobalt-59 NMR-Study of Tris(2,4-Pentanedionato-O,O’)Cobalt(III) Eichele K, Chan JC, Wasylishen RE, Britten JF
5431 - 5436	Structural Information from Methyl Rotors - Methyl Torsional Barriers in P-Hydroxy-P’-Methyl-T-Stilbene and Its Water Complexes Metzger BS, Spangler LH
5437 - 5445	Toward Improved Force-Fields .1. Multipole-Derived Atomic Charges Winn PJ, Ferenczy GG, Reynolds CA
5446 - 5455	Toward Improved Force-Fields .2. Effective Distributed Multipoles Ferenczy GG, Winn PJ, Reynolds CA
5456 - 5462	Dispersed Optical Heterodyne Detected Birefringence and Dichroism of Transparent Liquids Constantine S, Zhou Y, Morais J, Ziegler LD
5463 - 5468	Solid-State Mo-95 NMR-Studies of Some Prototypal Molybdenum Compounds - Sodium Molybdate Dihydrate, Hexacarbonylmolybdenum, and Pentacarbonyl Phosphine Molybdenum(0) Complexes Eichele K, Wasylishen RE, Nelson JH
5469 - 5476	Alternative Mechanisms for Solvation Dynamics of Laser-Induced Electrons in Methanol Turi L, Holpar P, Keszei E
5477 - 5488	Atmospheric Chemistry of Ch2Brcl - Kinetics and Mechanism of the Reaction of F-Atom with Ch2Brcl and Fate of the Chbrclo-Center-Dot Radical Bilde M, Sehested J, Nielsen OJ, Wallington TJ
5489 - 5493	Temperature-Dependence for the Rate Coefficients of the Reactions of the Oh Radical with a Series of Formates Lecalve S, Lebras G, Mellouki A
5494 - 5499	Single-Pulse Shock-Tube Studies of the Decomposition of Ethoxy Compounds Herzler J, Manion JA, Tsang W
5500 - 5508	Single-Pulse Shock-Tube Study of the Decomposition of Tetraethoxysilane and Related-Compounds Herzler J, Manion JA, Tsang W
5509 - 5516	Mechanism of Quenching of Triplet-States by Oxygen - Biphenyl Derivatives in Acetonitrile Wilkinson F, Abdelshafi AA
5517 - 5525	Kinetics of the Io Radical .1. Reaction of Io with Clo Turnipseed AA, Gilles MK, Burkholder JB, Ravishankara AR
5526 - 5534	Kinetics of the Io Radical .2. Reaction of Io with Bro Gilles MK, Turnipseed AA, Burkholder JB, Ravishankara AR, Solomon S
5535 - 5542	Electron-Transfer Reactions of Radical-Cation and Anion of (R)-(-)-1,1’-Binaphthyl-2,2’-Diyl Hydrogen Phosphate in Aqueous-Solution - A Pulse-Radiolysis Study Shoute LC
5543 - 5546	Rate Constants for the Gas-Phase Reaction of Chloride-Ion with Methyl-Bromide over the Pressure Range 300 to 1100 Torr Sahlstrom KE, Knighton WB, Grimsrud EP
5547 - 5550	Chemical-Bond Analysis of Nonlinearity of Urea Crystal Xue DF, Zhang SY
5551 - 5554	Characteristics of the Linc60 Complexes for N=1-6 and 12 - An Ab-Initio Study Aree T, Hannongbua S
5555 - 5566	Density-Functional Calculations of Structures, Vibrational Frequencies, and Normal-Modes of Trans-Azobenzene and Cis-Azobenzene Biswas N, Umapathy S
5567 - 5573	Strength of Spin Coupling in High-Spin Organic-Molecules Li SH, Ma J, Jiang YS
5574 - 5579	Ab-Initio Studies of Alternant X2Y2 Rings (X=n, P, as, and Sb and Y=o, S, Se, and Te) - Planar Versus Butterfly Structures Mercero JM, Lopez X, Fowler JE, Ugalde JM
5580 - 5586	Quantum-Chemical Investigation of Structures, Rotational Barriers, and Vibrational-Spectra of the Rotamers of Ethyl Nitrite (Ch3Ch2Ono) Suter HU, Nonella M
5587 - 5592	Electron Correlation and Magnetism - A Simple Molecular-Orbital Approach for Predicting Ground-State Spins of Conjugated Hydrocarbons Li SH, Ma J, Jiang YS
5593 - 5595	An Analytical Method to Determine Reference Orbitals for Localized Frontier Orbitals (Lfos) and Its Application to the Correlation-Analysis Between Lfo Energies and Acidities of Conjugate Cations of Heterocyclic Bases and Monosubstituted Benzoic-Acids Kurita Y, Takayama C
5596 - 5599	Energetics of the (N)Phenylenes with Application to Helical Conformers Schulman JM, Disch RL
5600 - 5603	Ab-Initio Study of the Interaction of Rhodium with Dinitrogen and Carbon-Monoxide Mckee ML, Worley SD
5604 - 5604	Molecular Modeling Approach for Contrasting the Interaction of Ethane and Hexafluoroethane with Carbon-Dioxide - Comment Han YK, Jeong HY
5605 - 5606	Oscillations in the Bromomalonic Acid Bromate System Catalyzed by (Ru(Bipy)(3))(2+) - Comment Pereira JA, Faria RB