Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.24 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (31 articles)

5323 - 5326	Internal vibrations of the Li(NH3)(4)(+) complex analyzed from ab initio, density functional theory, and the classical spring network model Pinsook U, Scheicher RH, Ahuja R, Hannongbua S
5327 - 5331	Quantum dynamics of Br plus HD reaction Panda AN
5332 - 5337	Photodissociation dynamics of HN3 and DN3 at 157 nm Yuan KJ, Cheng Y, Wang FY, Yang XM
5338 - 5343	Probing the photoexcited states of rhodium corroles by time-resolved Q-Band EPR. Observation of strong spin-orbit coupling effects Rozenshtein V, Wagnert L, Berg A, Stavitski E, Berthold T, Kothe G, Saltsman I, Gross Z, Levanon H
5344 - 5353	Emergence of charge-transfer-to-solvent band in the absorption spectra of hydrogen halides on ice nanoparticles: Spectroscopic evidence for acidic dissociation Oncak M, Slavicek P, Poterya V, Farnik M, Buck U
5354 - 5362	Photodissociation of yttrium and lanthanum oxide cluster cations Reed ZA, Duncan MA
5363 - 5367	Three-dimensional local structure of photoexcited cu diimine complex refined by quantitative XANES analysis Smolentsev G, Soldatov AV, Chen LX
5368 - 5377	Matrix isolation studies of photochemical and thermal reactions of 3-and 5-membered cyclic hydrocarbons with CrCl2O2 Hoops MD, Ault BS
5378 - 5384	Effect of diffusion on the photoinduced reaction between a tetra-anionic porphyrin and methylviologen cation in methanol Pant S, Ohtaka-Saiki H, Takezaki M, Scully AD, Hirayama S, Tominaga T
5385 - 5389	New insight on the structural trends of polyphosphate coacervation processes Silva MAP, Franco DF, de Oliveira LFC
5390 - 5394	Diffusion and kinetics of solvent-free reaction between molecular crystals by time-resolved powder UV-Vis reflection spectrum Tang XC, Jia DZ, Jiang CK, Jiang LH, Guo ZP
5395 - 5405	Modeling the kinetics of Fe(II) oxidation in the presence of citrate and salicylate in aqueous solutions at pH 6.0-8.0 and 25 degrees C Pham AN, Waite TD
5406 - 5410	Molecular dynamics study on ion diffusion in LiFePO4 olivine materials Zhang PX, Wu YP, Zhang DY, Xu QM, Liu JH, Ren XZ, Luo ZK, Wang ML, Hong WL
5411 - 5417	Addition of the carbonyl oxygen to the ipso- or ortho-carbon atoms of the beta-phenyl ring followed by intersystem crossing and rapid relaxation to the ground-state ketones: A mechanism for beta-phenyl quenching of the first triplet excited states of derivatives of beta-phenylpropiophenone Bucher G
5418 - 5428	Gas-phase nitrosation of ethylene and related events in the C2H4NO+ landscape Gerbaux P, Dechamps N, Flammang R, Nam PC, Nguyen MT, Djazi F, Berruyer F, Bouchoux G
5429 - 5435	Effect of coadsorbed dopants on diamond initial growth processes: CH3 adsorption Van Regemorter T, Larsson K
5436 - 5447	Two-way effects between hydrogen bond and intramolecular resonance effect: An ab initio study on complexes of formamide and its derivatives with water Liu T, Li H, Huang MB, Duan Y, Wang ZX
5448 - 5452	Finite element method for finite-size scaling in quantum mechanics Moy W, Carignano MA, Kais S
5453 - 5457	Transition state for the gas-phase reaction of uranium hexafluoride with water Garrison SL, Becnel JM
5458 - 5466	Investigation of charge carriers in doped thiophene oligomers through theoretical modeling of their UV/vis spectra Salzner U
5467 - 5477	Ground- and excited-state properties of the mixed-valence complex [(NH3)(5)(RuNCRuII)-N-III(CN)(5)](-) Kondov I, Vallet V, Wang HB, Thoss M
5478 - 5485	Quantum states of the endohedral fullerene Li@C-60 Zhang M, Harding LB, Gray SK, Rice SA
5486 - 5494	Experimental and computational study of HXeY center dot center dot center dot HX complexes (X, Y=Cland Br): An example of exceptionally large complexation effect Lignell A, Lundell J, Khriachtchev L, Rasanen M
5495 - 5501	Ab initio study on mechanisms and kinetics for reaction of NCS with NO Chen HL, Zhu R, Chen HT, Li HJ, Ju SP
5502 - 5508	Photoexcitation and photoionization dynamics of water photolysis Kumar A, Kolaski M, Lee HM, Kim KS
5509 - 5514	Optical rectification at isotropic chiral film composed of tripod-like molecules Wang XO, Gong LJ, Li CF
5515 - 5526	Solvent effects on the local structure of p-nitroaniline in supercritical water and supercritical alcohols Fujisawa T, Terazima M, Kimura Y
5527 - 5537	A mechanistic study on the photoisomerizations of spiro[2,4]hept-1-ene, vinylidenecyclopentane, and vinylidenecyclobutane hydrocarbons Su MD
5538 - 5541	Application of high-level iterative coupled-cluster methods to the cytosine molecule Kowalski K, Valiev M
5542 - 5553	Quantum chemical characterization of the structures, thermochemical properties, and doublet-quartet splittings of tridehydropyridinium cations Nash JJ, Kenttaemaa HI, Cramer CJ
5554 - 5554	Bond dissociation energies and radical stabilization energies: An assessment of contemporary theoretical procedures (vol 111A, pg 13638, 2007) Menon AS, Wood GPF, Moran D, Radom L