Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.110, No.33 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (24 articles)

9983 - 9987	Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework Swalina C, Pak MV, Chakraborty A, Hammes-Schiffer S
9988 - 9994	Early excited state dynamics of 6-styryl-substituted pyrylium salts exhibiting dual fluorescence Pigliucci A, Nikolov P, Rehaman A, Gagliardi L, Cramer CJ, Vauthey E
9995 - 9999	Relative energy and structural differences of axial and equatorial 1-fluoro-1-silacyclohexane Favero LB, Velino B, Caminati W, Arnason I, Kvaran A
10000 - 10005	Vibronic structure in the S-1-S-0 transition of jet-cooled dibenzofuran Baba M, Mori K, Yamawaki M, Akita K, Ito M, Kasahara S, Yamanaka T
10006 - 10011	Asymmetric top rotors in electric fields. II. Influence of internal torsions in molecular beam deflection experiments Antoine R, El Rahim MA, Broyer M, Rayane D, Dugourd P
10012 - 10017	Emission spectra and electronic energy levels of the rotational isomers of pyridinecarboxaldehyde vapors Itoh T
10018 - 10024	Theoretical and experimental analysis of ammonia ionic clusters produced by Cf-252 fragment impact on an NH3 ice target Fernandez-Lima FA, Ponciano CR, Nascimento MAC, da Silveira EF
10025 - 10034	Amine-hydrogen halide complexes: Experimental electric dipole moments and a theoretical decomposition of dipole moments and binding energies Brauer CS, Craddock MB, Kilian J, Grumstrup EM, Orilall MC, Mo YR, Gao JL, Leopold KR
10035 - 10045	Infrared spectra of M(OH)(1,2,3) (M = Mn, Fe, Co, Ni) molecules in solid argon and the character of first row transition metal hydroxide bonding Wang XF, Andrews L
10046 - 10052	Infrared spectra and intensities of the H2O and N-2 complexes in the range of the v(1)- and v(3)-bands of water Kuma S, Slipchenko MN, Kuyanov KE, Momose T, Vilesov AF
10053 - 10062	SAC and SAC-CI calculations of excitation and circular dichroism spectra of straight-chain and cyclic dichalcogens Seino J, Honda Y, Hada M, Nakatsuji H
10063 - 10077	Infrared spectra of the CH3-MX, CH2 = MHX, and CH MH2X- complexes formed by reaction of methyl halides with laser-ablated group 5 metal atoms Cho HG, Andrews L
10078 - 10083	Relativistic DFT studies of dehydrogenation of methane by Pt cationic clusters: Cooperative effect of bimetallic clusters Xia F, Cao ZX
10084 - 10090	Solid-state Mg-25 NMR spectroscopic and computational studies of organic compounds. Square-pyramidal magnesium(II) ions in aqua(magnesium) phthalocyanine and chlorophyll a Wong A, Ida R, Mo X, Gan ZH, Poh J, Wu G
10091 - 10097	DFT and experimental examination of the oxidation/reduction of a thiol-substituted carotenoid with gold versus glassy carbon electrodes Gao YL, Focsan AL, Li YY, Kispert LD
10098 - 10105	Oligothiophene catenanes and knots: A theoretical study Fomine S, Guadarrama P
10106 - 10115	Topology of charge density of flucytosine and related molecules and characteristics of their bond charge distributions Murgich J, Franco HJ, San-Blas G
10116 - 10121	The heats of formation of diazene, hydrazine, N2H3+, N2H5+, N2H, and N2H3 and the methyl derivatives CH3NNH, CH3NNCH3, and CH3HNNHCH3 Matus MH, Arduengo AJ, Dixon DA
10122 - 10129	Polar effects and structural variation in 4-substituted 1-phenylbicyclo[2.2.2]octane derivatives: A quantum chemical study Campanelli AR, Domenicano A, Ramondo F
10130 - 10134	A computational study on the kinetics and mechanism for the unimolecular decomposition of o-nitrotoluene Chen SC, Xu SC, Diau E, Lin MC
10135 - 10147	Clar's sextet rule is a consequence of the sigma-electron framework Maksic ZB, Baric D, Muller T
10148 - 10154	A computational study on pi and sigma modes of metal ion binding to heteroaromatics (CH)(5-m)X-m and (CH)(6-m)X-m (X = N and P): Contrasting preferences between nitrogen- and phosphorous-substituted rings Vijay D, Sastry GN
10155 - 10162	Theoretical determination of the rate constant for OH hydrogen abstraction from toluene Uc VH, Alvarez-Idaboy JR, Galano A, Garcia-Cruz I, Vivier-Bunge A
10163 - 10168	Magnitude and directionality of the interaction energy of the aliphatic CH/pi interaction: Significant difference from hydrogen bond Tsuzuki S, Honda K, Uchimaru T, Mikami M, Fujii A