Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.5 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (32 articles)

721 - 729	Doubly vibrationally enhanced four-wave mixing in crotononitrile Condon NJ, Wright JC
730 - 733	Simulation of a crossover from the precipitation wave to moving Liesegang pattern formation Izsak F, Lagzi I
734 - 747	Absorption and emission study of 2',7'-difluorofluorescein and its excited-state buffer-mediated proton exchange reactions Orte A, Crovetto L, Talavera EM, Boens N, Alvarez-Pez JM
748 - 753	A theoretical and experimental study of water complexes of m-aminobenzoic acid MABA center dot(H2O)(n) (n = 1 and 2) He YG, Wu CY, Kong W
754 - 758	Structures and energetics of BenSin and Be2nSin (n=1-4) clusters Binning RC, Bacelo DE
759 - 766	Solvatochromism of a novel betaine dye derived from purine Masternak A, Wenska G, Milecki J, Skalski B, Franzen S
767 - 772	High-resolution electronic spectrum of the p-difluorobenzene-water complex: Structure and internal rotation dynamics Kang CW, Pratt DW, Schafer M
773 - 778	Benchmark calculations of reaction energies, barrier heights, and transition-state geometries for hydrogen abstraction from methanol by a hydrogen atom Pu JZ, Truhlar DG
779 - 786	Spectroscopic and optimization modeling study of nitrous acid in aqueous solution Riordan E, Minogue N, Healy D, O'Driscoll P, Sodeau JR
787 - 797	Characterization of acridine species adsorbed on (NH4)(2)SO4, SiO2, Al2O3, and MgO by steady-state and time-resolved fluorescence and diffuse reflectance techniques Negron-Encarnacion I, Arce R, Jimenez M
798 - 801	Comparative ab initio study of the structures and stabilities of the ethane dication C2H62+ and its silicon analogues Si2H62+ and CSiH62+ Rasul G, Prakash GKS, Olah GA
802 - 806	Interpretation of conformational effects on 2-endo-norborneol by natural chemical shielding analysis Seidl PR, Carneiro JWD, Tostes JGR, Koch A, Kleinpeter E
807 - 815	Treatment of dilute clusters of methanol and water by a initio quantum mechanical calculations Ruckenstein E, Shulgin IL, Tilson JL
816 - 824	Theoretical revisit of regioselectivities of Diels-Alder reactions: Orbital-based reevaluation of multicentered reactivity in terms of reactive hybrid orbitals Hirao H, Ohwada T
825 - 831	Computational investigation of the weakly bound dimers HOX center dot center dot center dot SO3 (X = F, Cl, Br) Solimannejad M, Pejov L
832 - 842	Conformational analysis and rotational barriers of alkyl- and phenyl-substituted urea derivatives Bryantsev VS, Firman TK, Hay BP
843 - 850	Hydrogen bonding in phenol, water, and phenol-water clusters Parthasarathi R, Subramanian V, Sathyamurthy N
851 - 859	ReaxFF(MgH) reactive force field for magnesium hydride systems Cheung S, Deng WQ, van Duin ACT, Goddard WA
860 - 868	Structure-property relationship in py-hexahydrocinchonidine diastereomers: Ab initio and NMR study Szollosi G, Chatterjee A, Forgo N, Bartok M, Mizukami F
869 - 873	Influence of dipolar interactions on radical pair recombination reactions subject to weak magnetic fields O'Dea AR, Curtis AF, Green NJB, Timmel CR, Hore PJ
874 - 884	An exhaustive conformational analysis of N-acetyl-L-cysteine-N-methylamide. Identification of the complete set of interconversion pathways on the ab initio and DFT potential energy hypersurface Bombasaro JA, Zamora MA, Baldoni HA, Enriz RD
885 - 891	Second hyperpolarizability (gamma) of singlet diradical system: Dependence of gamma on the diradical character Nakano M, Kishi R, Nitta T, Kubo T, Nakasuji K, Kamada K, Ohta K, Champagne B, Botek E, Yamaguchi K
892 - 897	Density functional study of the conformational space of C-4(1) D-glucuronic acid Nyerges B, Kovacs A
898 - 904	Post-Hartree-Fock studies on the structure of bis(ortho-substituted phenyl)methylenes Trindle C
905 - 914	Refractive index of liquid water in different solvent models Sylvester-Hvid KO, Mikkelsen KV, Nymand TM, Astrand PO
915 - 921	Infrared and ab initio studies on 1,2,4,5-tetrafluorobenzene clusters with methanol and 2,2,2-trifluoroethanol: Presence and absence of an aromatic C-H center dot center dot center dot O hydrogen bond Venkatesan V, Fujii A, Ebata T, Mikami N
922 - 927	Inverse potassium hydride: A theoretical study Sawicka A, Skurski P, Simons J
928 - 933	High-level ab initio thermochemical data for halides of chromium, manganese, and iron Nielsen IMB, Allendorf MA
934 - 938	Theoretical studies on the heats of formation and the interactions among the difluoroamino groups in polydifluoroaminocubanes Ju XH, Li YM, Xiao HM
939 - 946	Heats of formation of the propionyl ion and radical and 2,3-pentanedione by threshold photoelectron photoion coincidence spectroscopy Kercher JP, Fogleman EA, Koizumi H, Sztaray B, Baer T
947 - 953	Matrix isolation and theoretical study of the photochemical reaction of CrCl2O2 with chloroethenes Antle KA, Ault BS
954 - 954	Photochemistry of diiodomethane in solution studied by ferntosecond and nanosecond laser photolysis. Formation and dark reactions of the CH2I-I isomer photoproduct and its role in cyclopropanation of olefins (vol 108, pg 237, 2004) Tarnovsky AN, Sundstrom V, Akesson E, Pascher T