Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.105, No.22 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (26 articles)

5309 - 5316	Common Marcus type dependence of the charge transfer induced processes in the sensitization and quenching of singlet oxygen by naphthalene derivatives Schweitzer C, Mehrdad Z, Shafii F, Schmidt R
5317 - 5325	Large electron transfer rate effects from the Duschinsky mixing of vibrations Sando GM, Spears KG, Hupp JT, Ruhoff PT
5326 - 5333	Ab initio computation of the Duschinsky mixing of vibrations and nonlinear effects Sando GM, Spears KG
5334 - 5339	Photoactivation of CO in Ti silicalite molecular sieve Yeom YH, Frei H
5340 - 5347	Gas-phase reactivity of Ni+ with glycine Rodriguez-Santiago L, Sodupe M, Tortajada J
5348 - 5355	Fluorescence spectroscopy of all-trans-anhydrorhodovibrin and spirilloxanthin: Detection of the 1B(u)(-) fluorescence Fujii R, Ishikawa T, Koyama Y, Taguchi M, Isobe Y, Nagae H, Watanabe Y
5356 - 5371	Calculation of optical rotation using density functional theory Stephens PJ, Devlin FJ, Cheeseman JR, Frisch MJ
5372 - 5379	Separation of dielectric nonideality from preferential solvation in binary solvent systems: An experimental examination of the relationship between solvatochromism and local solvent composition around a dipolar solute Khajehpour M, Welch CM, Kleiner KA, Kauffman JF
5380 - 5384	Products of the chlorine-atom- and hydroxyl-radical-initiated oxidation of CH3CN Tyndall GS, Orlando JJ, Wallington TJ, Hurley MD
5385 - 5392	Kinetic study of the reactions of chlorine atoms and Cl(2)(center dot-)radical anions in aqueous solutions. II. Toluene, benzoic acid, and chlorobenzene Martire DO, Rosso JA, Bertolotti S, Le Roux GC, Braun AM, Gonzalez MC
5393 - 5401	Temperature dependence and deuterium kinetic isotope effects in the CH(CD)+C2H4(C2D4) reaction between 295 and 726 K Thiesemann H, Clifford EP, Taatjes CA, Klippenstein SJ
5402 - 5409	Kinetics of the O+ClO reaction Goldfarb L, Burkholder JB, Ravishankara AR
5410 - 5419	A gas-phase study of the kinetics of formation of Fe(CO)(3)DMB, Fe(CO)(3)(DMB)(2), and Fe(CI)(4)DMB: The bond dissociation enthalpy for Fe(CO)(3)(DMB)(2) (DMB=3,3-dimethyl-1-butene) Wang JQ, Weitz E
5420 - 5430	Structure, torsional potentials, and thermodynamic properties Delta H degrees(f298), S degrees(298), and C-p(T) of chloro-dimethyl ethers: CH2ClOCH3, CHCl2OCH3, and CCl3OCH3. Density functional and ab initio calculations Jung DW, Bozzelli JW
5431 - 5437	Theoretical insight into the interactions of TMA-benzene and TMA-pyrrole with B3LYP density-functional theory (DFT) and ab initio second order Moller-Plesset perturbation theory (MP2) calculations Liu T, Gu JD, Tan XJ, Zhu WL, Luo XM, Jiang HL, Ji RY, Chen KX, Silman I, Sussman JL
5438 - 5441	Nature of the fluorescent state of N-arylcarbazole derivatives as derived from directly measured values of the excited state dipole moment Samanta A, Saha S, Fessenden RW
5442 - 5449	Relating environmental effects and structures, IR, and NMR properties of hydrogen-bonded complexes: ClH : pyridine Chapman K, Crittenden D, Bevitt J, Jordan MJT, Del Bene JE
5450 - 5467	Density functional studies on the lone pair effect of the trivalent group (V) elements: I. Electronic structure, vibronic coupling, and chemical criteria for the occurrence of lone pair distortions in AX(3) molecules (A=N to Bi; X=H, and F to I) Atanasov M, Reinen D
5468 - 5472	Identification for IPR isomers of fullerene C-82 by theoretical C-13 NMR spectra calculated by density functional theory Sun GY, Kertesz M
5473 - 5478	Polarizabilities (alpha) of dendritic molecular aggregates: Visualization of intermolecular-interaction and damping effects on alpha Nakano M, Takahata M, Fujita H, Kiribayashi S, Yamaguchi K
5479 - 5485	Evaluating the activation barriers for transition metal N2O reactions Delabie A, Vinckier C, Flock M, Pierloot K
5486 - 5489	B-13(+) is highly aromatic Aihara J
5490 - 5497	Calculation of the EPR g-tensors of high-spin radicals with density functional theory Patchkovskii S, Ziegler T
5498 - 5506	Molecular and electronic structure of C5H5N-SO3: Correlation of ground state physical properties with orbital energy gaps in partially bound Lewis acid-base complexes Hunt SW, Leopold KR
5507 - 5508	Comments on "Anomalous dielectric relaxation of aqueous protein solutions" by Nilashis Nandi and Biman Bagchi (J-Phys. Chem. A 1998, 102, 8217) Boresch S, Steinhauser O
5509 - 5510	Reply to the comment by S. Boresch and O. Steinhauser on the letter by N. Nandi and B. Bagchi entitled "Anomalous dielectric relaxation of aqueous protein solution" Nandi N, Bagchi B