Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.39 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (33 articles)

8661 - 8674	Universal and state-resolved imaging of chemical dynamics Townsend D, Li W, Lee SK, Gross RL, Suits AG
8675 - 8683	Is there an anionic Hofmeister effect on water dynamics? Dielectric spectroscopy of aqueous solutions of NaBr, NaI, NaNO3, NaClO4, and NaSCN Wachter W, Kunz W, Buchner R, Hefter G
8684 - 8692	The ring-opening reaction of chromenes: A photochemical mode-dependent transformation Migani A, Gentili PL, Negri F, Olivucci M, Romani A, Favaro G, Becker RS
8693 - 8704	Ultrafast intermolecular hydrogen bond dynamics in the excited state of fluorenone Samant V, Singh AK, Ramakrishna G, Ghosh HN, Ghanty TK, Palit DK
8705 - 8718	Three-state 2',7'-difluorofluorescein excited-state proton transfer reactions in moderately acidic and very acidic media Orte A, Talavera EM, Macanita AL, Orte JC, Alvarez-Pez JM
8719 - 8723	A high-resolution FT-IR study of the fundamental bands v(7), v(8), and v(18) of ethene secondary ozonide Sablinskas V, Hegelund F, Ceponkus J, Bariseviciute R, Aleksa V, Nelander B
8724 - 8731	Raman and theoretical study of the solvent effects on the sizable intramolecular charge transfer in the push-pull 5-(dimethylamino)-5'-nitro-2,2'-bithiophene Orti E, Viruela PM, Viruela R, Effenberger F, Hernandez V, Navarrete JTL
8732 - 8744	EPR and ENDOR study of radiation-induced radical formation in purines: Hypoxanthine hydrochloride monohydrate crystals X-irradiated at 10 K Tokdemir S, Nelson WH
8745 - 8754	Development of a biologically relevant calcium phosphate substrate for sum frequency generation vibrational spectroscopy McGall SJ, Davies PB, Neivandt DJ
8755 - 8759	Stable copper-tin cluster compositions from high-temperature annealing Breaux GA, Hillman DA, Neal CM, Jarrold MF
8760 - 8764	Intercomparison of simultaneously obtained infrared (4.8 mu m) and visible (515-715 nm) ozone spectra using ACE-FTS and MAESTRO Dufour DG, Drummond JR, McElroy CT, Midwinter C, Bernath PF, Walker KA, Evans WFJ, Puckrin E, Nowlan C
8765 - 8773	Accurate global potential energy surface and reaction dynamics for the ground state of HgBr2 Balabanov NB, Shepler BC, Peterson KA
8774 - 8784	Photodissociation of Azulene at 193 nm: Ab initio and RRKM study Dyakov YA, Ni CK, Lin SH, Lee YT, Mebel AM
8785 - 8793	Enolate structure and electron affinity Walthall DA, Karty JM, Romer B, Ursini O, Brauman JI
8794 - 8799	Molecular rotations and dipole-bound state lifetimes Walthall DA, Karty JM, Brauman JI
8800 - 8808	Theoretical study of the mechanism of hydrogenation of side-on coordinated dinitrogen activated by Zr binuclear complexes ([eta(5)-C5Me4H)(2)Zr](2)(mu(2),eta(2),eta(2)-N-2)) Miyachi H, Shigeta Y, Hirao K
8809 - 8818	Theoretical studies of the spectroscopic properties of [Pt(trpy)C CR](+) (trpy=2,2',6',2''-terpyridine; R = H, CH2OH, and C6H5) Zhou X, Zhang HX, Pan QJ, Xia BH, Tang AC
8819 - 8825	The degree of rotation independence of conjugation of S-N bonds Wang LJ, Mezey PG
8826 - 8833	Structural changes upon photoexcitation into the metal-to-ligand charge-transfer state of [Cu(pqx)(PPh3)(2)](+) probed by resonance Raman spectroscopy and density functional theory Waterland MR, Howell SL, Gordon KC, Burrell AK
8834 - 8848	Experimental X-ray charge density studies on the binary carbonyls Cr(CO)(6), Fe(CO)(5), and Ni(CO)(4) Farrugia LJ, Evans C
8849 - 8856	Photostability via a sloped conical intersection: A CASSCF and RASSCF study of pyracylene Boggio-Pasqua M, Robb MA, Bearpark MJ
8857 - 8864	[Mo-2(CN)(11)]: (5-) A detailed description of ligand-field spectra and magnetic properties by first-principles calculations Hendrickx MFA, Clima S, Chibotaru LF, Ceulemans A
8865 - 8873	Comparative investigation on non-IPR C-68 and IPR C-78 fullerenes encaging Sc3N molecules Park SS, Liu D, Hagelberg F
8874 - 8879	Theoretical study of chloropyrroles as monomers for new conductive polymers Omrani A, Sabzyan H
8880 - 8892	Koopmans-like approximation in the Kohn-Sham method and the impact of the frozen core approximation on the computation of the reactivity parameters of the density functional theory Vargas R, Garza J, Cedillo A
8893 - 8903	Cation [M = H+, Li+, Na+, K+, Ca2+, Mg2+, NH4+, and NMe4+] interactions with the aromatic motifs of naturally occurring amino acids: A theoretical study Reddy AS, Sastry GN
8904 - 8913	Ab initio study of 2,4-substituted azolidines. II. Amino-imino tautomerism of 2-aminothiazolidine-4-one and 4-aminothiazolidine-2-one in water solution Enchev V, Markova N, Angelova S
8914 - 8922	Theoretical study of the heptamethylbenzenium ion. Intramolecular isomerizations and C2, C3, C4 alkene elimination Arstad B, Kolboe S, Swang O
8923 - 8929	Computation of the hardness and the problem of negative electron affinities in density functional theory Tozer DJ, De Proft F
8930 - 8937	Strongly blue-shifted C-H stretches: Interaction of formaldehyde with hydrogen fluoride clusters Karpfen A, Kryachko ES
8938 - 8943	Formation of para-substituted triphenylboroxines: A computational study Kua J, Iovine PM
8944 - 8949	Simulated speed distributions for effusing gases in the transition region Wahlbeck PG
8950 - 8957	Theoretical study of a new group of corrosion inhibitors Gomez B, Likhanova NV, Aguilar MAD, Olivares O, Hallen JM, Martinez-Magadan JA