Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.102, No.50 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (34 articles)

10195 - 10198	Prompt and delayed dissociation of energy-rich larger molecules Remacle F, Levine RD
10199 - 10203	Dependence of calculated product rotational polarizations on the scattering angle for the O(D-1)+HCl reaction Alvarino JM, Bolloni A, Hernandez ML, Lagana A
10204 - 10210	Product rotational polarization in photo-initiated bimolecular reactions A+BC: Dependence on the character of the potential energy surface for different mass combinations Wang ML, Han KL, He GZ
10211 - 10220	Ultrafast charge transfer in amino-substituted boron dipyrromethene dyes and its inhibition by cation complexation: A new design concept for highly sensitive fluorescent probes Kollmannsberger M, Rurack K, Resch-Genger U, Daub J
10221 - 10229	Matrix infrared study of O-initiated atomic oxidation of CH3Cl: Identification of the triplet CH3Cl center dot center dot center dot O complex Schriver-Mazzuoli L, Schriver A, Hannachi Y
10230 - 10237	Relative intensities of nonequivalent CH bonds in the local mode overtone spectra of 1,3- and 1,4-cyclohexadiene Bellaiche-Sharpe P, Gough KM, Schattka BJ, Low GR, Kjaergaard HG
10238 - 10249	Characterization of the reaction products of laser-ablated early lanthanide metal atoms with dinitrogen. Infrared spectra of LnN, LnN(2), (LnN)(2), and Ln(NN)(x) molecules Willson SP, Andrews L
10250 - 10257	Matrix infrared spectra and density functional calculations of Co(CO)(x)(-) (x = 1, 2, 3, 4) anions Zhou MF, Andrews L
10258 - 10260	Negative-ion photoelectron spectrum of tricarbonyl(eta 5-methylcyclopentadienyl)manganate(0) Martel AA, Waller IM
10261 - 10264	Far-infrared, combination band, and Raman spectra of the ring-puckering vibration of 1,4-disilacyclohexa-2,5-diene del Rosario A, Bitschenauer R, Dakkouri M, Haller K, Laane J
10265 - 10273	Analyzing chaotic behavior in a Belousov-Zhabotinskyi reaction by using a global vector field reconstruction Letellier C, Maquet J, Labro H, Le Sceller L, Gouesbet G, Argoul F, Arneodo A
10274 - 10279	Dye laser photolysis of n-pentanal from 280 to 330 nm Cronin TJ, Zhu L
10280 - 10288	Effect of HNO3 and HCl on D2O desorption kinetics from crystalline D2O ice Livingston FE, George SM
10289 - 10299	Atmospheric oxidation of toluene in a large-volume outdoor photoreactor: In situ determination of ring-retaining product yields Klotz B, Sorensen S, Barnes I, Becker KH, Etzkorn T, Volkamer R, Platt U, Wirtz K, Martin-Reviejo M
10300 - 10309	Real-time kinetic measurements of the condensation and evaporation of D2O molecules on ice at 140K < T < 220K Chaix L, van den Bergh H, Rossi MJ
10310 - 10317	A periodic density functional theory and Hartree-Fock study of alkali halides with Gaussian orbitals Sandrone G, Dixon DA
10318 - 10323	Quantum chemistry-based force field for simulations of poly(propylene oxide) and its oligomers Smith GD, Borodin O, Bedrov D
10324 - 10332	Molecular dynamics investigation of homogeneous nucleation in the freezing of selenium hexafluoride Santikary P, Kinney KE, Bartell LS
10333 - 10339	Proton-assisted electron transfer Peluso A, Brahimi M, Carotenuto M, Del Re G
10340 - 10347	Born-Oppenheimer ab initio QM/MM dynamics simulations of Na+ and K+ in water: From structure making to structure breaking effects Tongraar A, Liedl KR, Rode BM
10348 - 10357	Theoretical studies of the structure, tautomerism, and vibrational spectra of 3-amino-5-nitro-1,2,4-triazole Sorescu DC, Bennett CM, Thompson DL
10358 - 10365	A potential function for describing intermolecular interactions in the hydroxylamine dimer Cabaleiro-Lago EM, Rios MA
10366 - 10373	XSOL, a combined integral equation (XRISM) and quantum mechanical solvation model: Free energies of hydration and applications to solvent effects on organic equilibria Shao L, Yu HA, Gao JL
10374 - 10379	Reverse Watson-Crick isocytosine-cytosine and guanine-cytosine base pairs stabilized by the formation of the minor tautomers of bases. An ab initio study in the gas phase and in a water cluster Zhanpeisov NU, Sponer J, Leszczynski J
10380 - 10384	An ab initio model system investigation of the proposed mechanism for activation of peroxidases: Cooperative catalytic contributions from the ion and microsolvent water Woon DE, Loew GH
10385 - 10390	Laser-induced NMR shift for Hg-199 atom Li L, He TJ, Chen DM, Wang XY, Liu FC
10391 - 10398	Ab initio molecular orbital calculations for the N(D-2) plus ethylene reaction Takayanagi T, Kurosaki Y, Sato K, Tsunashima S
10399 - 10403	Calculation of the proton and electron affinity of simple Ge-containing species using density functional theory Morgon NH, Riveros JM
10404 - 10413	Novel density functional methodology for the computation of accurate electronic and thermodynamic properties of molecular systems and improved long-range behavior Kafafi SA
10414 - 10423	Structure and thermodynamics of gaseous oxides, hydroxides, and mixed oxohydroxides of chromium: CrOm(OH)(n) (m, n = 0-2) and CrO3. A computational study Espelid O, Borve KJ, Jensen VR
10424 - 10429	Heats of formation of GaCl3 and its fragments Bauschlicher CW
10430 - 10435	Effective nuclear charges for the first- through third-row transition metal elements in spin-orbit calculations Koseki S, Schmidt MW, Gordon MS
10436 - 10441	Theoretical studies of carbocations in ion pairs. Part 3. The tert-butyl cation in an ionic aggregate Farcasiu D, Lukinskas P
10442 - 10442	Novel density functional methodology for the computation of accurate electronic and thermodynamic properties of molecular systems and improved long-range behavior (vol 102, pg 10411, 1998) Kafafi SA