Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.104, No.46 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (54 articles)

10595 - 10599	A direct observation of non-RRKM behavior in femtosecond photophysically activated reactions Lee IR, Chen WK, Chung YC, Cheng PY
10600 - 10602	High-pressure electrochemical promotion of ammonia synthesis over an industrial iron catalyst Yiokari CG, Pitselis GE, Polydoros DG, Katsaounis AD, Vayenas CG
10603 - 10613	Slow dynamics of constrained water in complex geometries Bhattacharyya K, Bagchi B
10614 - 10622	Separation between fast and slow polarizations in continuum solvation models Cossi M, Barone V
10623 - 10630	Distortion of host lattice in clathrate hydrate as a function of guest molecule and temperature Ikeda T, Mae S, Yamamuro O, Matsuo T, Ikeda S, Ibberson RM
10631 - 10636	Electron photoejection from corannulene dianion and Li+-mediated recombination of the photogenerated species Shenhar R, Willner I, Preda DV, Scott LT, Rabinovitz M
10637 - 10644	Solvent effects on vibrational coherence and ultrafast reaction dynamics in the multicolor pump-probe spectroscopy of intervalence electron transfer Kambhampati P, Son DH, Kee TW, Barbara PF
10645 - 10647	Vacuum-UV three-photon chemical reaction via vibrationally hot molecules: Decomposition of triphenylmethane Yatsuhashi T, Nakashima N
10648 - 10655	Franck-Condon simulation of the S-1 -> S-0 spectrum of phenol Schumm S, Gerhards M, Kleinermanns K
10656 - 10661	Spectroelectrochemical Raman study of a novel well-barrier-well vinylene-bridged-octithiophene oligomer: An analysis of the conjugation length and of the electronic defects created upon doping Casado J, Puig JJM, Hernandez V, Zotti G, Navarrete JTL
10662 - 10668	Gas-phase experimental and theoretical studies of adenine, imidazole, pyrrole, and water non-covalent complexes Carles S, Lecomte F, Schermann JP, Desfrancois C
10669 - 10674	Emission spectroscopy of dissociative allyl iodide and allyl alcohol excited at 199.7 nm Parsons BF, Szpunar DE, Butler LJ
10675 - 10682	A matrix isolation study of the photochemically induced reactions of ozone with iodine cyanide and bromine cyanide Clark RJH, Foley LJ, Price SD
10683 - 10687	Vibrational circular dichroism: Predominant conformations and intermolecular interactions in (R)-(-)-2-butanol Wang F, Polavarapu PL
10688 - 10694	Effects of lowering symmetry on the ESR spectra of radical anions of fullerene derivatives and the reduction potentials Fukuzumi S, Mori H, Suenobu T, Imahori H, Gao X, Kadish KM
10695 - 10700	Photoelectron spectroscopy of SO3- at 355 and 266 nm Dobrin S, Boo BH, Alconcel LS, Continetti RE
10701 - 10707	Energy- and electron-transfer quenching of porphyrin triplets by C-60 Martino DM, van Willigen H
10708 - 10712	Influence of Fe and Co/Ni on carbon arc plasma and formation of fullerenes and nanotubes Huczko A, Lange H, Sogabe T
10713 - 10720	O-O bond dissociation enthalpy in di(trifluoromethyl) peroxide (CF3OOCF3) as determined by very low pressure pyrolysis. Density functional theory computations on O-O and O-H bonds in (fluorinated) derivatives Reints W, Pratt DA, Korth HG, Mulder P
10721 - 10730	DFT theoretical study on the reaction mechanism of the nitrate radical with alkenes: 2-butene, isobutene, 2-methyl-2-butene, and 2,3-dimethyl-2-butene Perez-Casany MP, Nebot-Gil I, Sanchez-Marin J
10731 - 10739	Investigation of dynamic behavior of the Bray-Liebhafsky reaction in the CSTR. Determination of bifurcation points Vukojevic V, Anic S, Kolar-Anic L
10740 - 10746	Optimal control of methane conversion to ethylene Faliks A, Yetter RA, Floudas CA, Hall R, Rabitz H
10747 - 10765	Chemically and thermally activated decomposition of secondary butyl radical Knyazev VD, Tsang W
10766 - 10776	A selected ion flow tube study of the reactions of several cations with the group 6B hexafluorides SF6, SeF6, and TeF6 Jarvis GK, Kennedy RA, Mayhew CA, Tuckett RP
10777 - 10782	Kinetic analysis of solid-state reactions: The universality of master plots for analyzing isothermal and nonisothermal experiments Gotor FJ, Criado JM, Malek J, Koga N
10783 - 10788	The light-perturbed Ru-catalyzed Belousov-Zhabotinsky reaction: Evidence for photochemically produced bromous acid and bromide ions by phase response analysis Treindl L, Knudsen D, Nakamura T, Matsumura-Inoue T, Jorgensen KB, Ruoff P
10789 - 10793	Adsorption of atmospheric gases at the air-water interface. 3: Methylamines Mmereki BT, Hicks JM, Donaldson DJ
10794 - 10796	Rates and mechanism of carbonyl sulfide oxidation by peroxides in concentrated sulfuric acid Dalleska NF, Colussi AJ, Hyldahl AM, Hoffmann MR
10797 - 10806	Temperature-dependent heterogeneous efflorescence of mixed ammonium sulfate/calcium carbonate particles Onasch TB, McGraw R, Imre D
10807 - 10811	The NCO plus NO reaction revisited: Ab initio MO/VRRKM calculations for total rate constant and product branching ratios Zhu RS, Lin MC
10812 - 10820	Photophysics of 7-azaindole, its doubly-H-bonded base-pair, and corresponding proton-transfer-tautomer dimeric species, via defining experimental and theoretical results Catalan J, Kasha M
10821 - 10824	Effect of O-3 on NO2 sorption from gas over H-Y zeolite: Supposition on the nitrate anion formation with NO2 and O-3 as coreactants Gal A, Kurahashi M, Kuzumoto M
10825 - 10833	Molecular complexes between sodium and carbonyl compounds: Photoionization and ab initio molecular orbital studies Wang LT, Su TM
10834 - 10841	Ab initio study of the intra- and intermolecular bonding in AuCl(CO) Fortunelli A, Germano G
10842 - 10854	Potential energy surface for the chlorine atom reaction with ethylene: A theoretical study Brana P, Menendez B, Fernandez T, Sordo JA
10855 - 10858	Characterization of the Rydberg bonding in (NH4)(2)(-) Barrios R, Skurski P, Simons J
10859 - 10867	Origin and nature of lithium and hydrogen bonds to oxygen, sulfur, and selenium Ammal SSC, Venuvanalingam P
10868 - 10872	Studies on the trapping and detrapping transition states of atomic hydrogen in octasilsesquioxane using the density functional theory B3LYP method Mattori M, Mogi K, Sakai Y, Isobe T
10873 - 10881	On the correlation energy of pi-electrons in planar hydrocarbons Maksic ZB, Baric D, Petanjek I
10882 - 10886	Electronic structure and bonding of the ground state of alkaline-earth-metal monoxides and carbides Fuentealba P, Savin A
10887 - 10894	Does a stacked DNA base pair hydrate better than a hydrogen-bonded one?: An ab initio study Sivanesan D, Babu K, Gadre SR, Subramanian V, Ramasami T
10895 - 10900	Reaction coordinate and rate constants for nitrous acid cis-trans isomerization Bauerfeldt GF, Arbilla G, da Silva EC
10901 - 10912	Hydrogen bonds in NH4F and NH4HF2 crystals. Comparison of electron density distribution obtained by X-ray diffraction and by quantum chemistry van Reeuwijk SJ, van Beek KG, Feil D
10913 - 10922	Gas-phase vanadium oxide anions: Structure and detachment energies from density functional calculations Vyboishchikov SF, Sauer J
10923 - 10931	Calibration of the quantum/classical Hamiltonian in semiempirical QM/MM AM1 and PM3 methods Luque FJ, Reuter N, Cartier A, Ruiz-Lopez MF
10932 - 10938	Combined quantum mechanics: Interatomic potential function investigation of rac-meso configurational stability and rotational transition in zirconocene-based Ziegler-Natta Maiti A, Sierka M, Andzelm J, Golab J, Sauer J
10939 - 10950	Ab initio study of radical addition reactions: Addition of a primary ethylbenzene radical to ethene (I) Van Speybroeck V, Van Neck D, Waroquier M, Wauters S, Saeys M, Marin GB
10951 - 10957	sigma bond activation by cooperative interaction with ns(2) atoms: Be+nH(2), n=1-3 Sharp SB, Gellene GI
10958 - 10971	A systematic nonempirical method of deriving model intermolecular potentials for organic molecules: Application to amides Mitchell JBO, Price SL
10972 - 10985	Cooperative interactions of unlike macromolecules: NMR study of ionic of coupling of poly[2-(trimethylammonio)ethyl methacrylate chloride]-block-poly(N-(2-hydroxypropyl)methacrylamide) polycation with oligophosphates in D2O Kriz J, Kurkova D, Dybal J, Oupicky D
10986 - 10993	Evolution of the local order in 1,3,5-trifluorobenzene from the liquid state up to supercritical conditions Cabaco MI, Tassaing T, Danten Y, Besnard M
10994 - 10994	Artificial neural network approach to predict the solubility of C-60 in various solvents (vol 104A, pg 8087, 2000) Kiss IZ, Mandi G, Beck MT
10994 - 10994	Electronic normal modes and polarization waves in translational polymer helices. Application to fully extended poly[(R)-beta-aminobutyric acid] chains (vol 104A, pg 7135, 2000) Applequist J
10994 - 10994	Controlling the conformation changes associated to electron transfer steps through chemical substitution: Intriguing redox behavior of substituted vinylogous TTF (vol 104A, pg 9750, 2000) Bellec N, Boubekeur K, Carlier R, Hapiot P, Lorcy D, Tallec A