Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.110, No.11 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (36 articles)

3853 - 3856	Evidence for the production of N-4 via the N-2 A(3)Sigma(+)(u)+N-2 A(3)Sigma(+)(u) energy pooling reaction Barber J, Hof DE, Meserole CA, Funk DJ
3857 - 3859	Magnetic isotope effect in the photolysis of organotin compounds Buchachenko AL, Ivanov VL, Roznyatovsky VA, Ustynyuk YA
3860 - 3867	Photocatalytic oxygenation of pivalic acid with molecular oxygen via photoinduced electron transfer using 10-methylacridinium ions Suga K, Ohkubo K, Fukuzumi S
3868 - 3874	Photophysical and photochemical processes of 9,10-dihydro-9-silaphenanthrene derivatives: Photochemical formation and electronic structure of 9-silaphenanthrenes Hiratsuka H, Horiuchi H, Furukawa Y, Watanabe H, Ishihara A, Okutsu T, Tobita S, Yoshinaga T, Shinohara A, Tokitoh N, Oba M, Nishiyama K
3875 - 3881	Reinterpretation of the Bronsted alpha for redox reactions based on the effect of substituents on hydride transfer reaction rates between NAD(+) analogues Lee ISH, Ji YR, Jeoung EH
3882 - 3885	Comparison between IR absorption and Raman scattering spectra of liquid and supercritical 1-butanol Sokolova M, Barlow SJ, Bondarenko GV, Gorbaty YE, Poliakoff M
3886 - 3902	Methane activation by laser-ablated V, Nb, and Ta atoms: Formation of CH3-MH, CH2=MH2, CH=MH3-, and (CH3)(2)MH2 Cho HG, Andrews L
3903 - 3910	Calculation of the vibrationally resolved electronic absorption spectrum of the propargyl radical (H2CCCH) Eisfeld W
3911 - 3919	Electron paramagnetic resonance study of the mononuclear Al species formed in the reaction of Al atoms and cyclopropylamine at 77 K in an adamantane matrix Joly HA, Ashley J, Levesque MY, Rank JP
3920 - 3926	Experimental and theoretical UV characterizations of acetylacetone and its isomers Coussan S, Ferro Y, Trivella A, Rajzmann M, Roubin P, Wieczorek R, Manca C, Piecuch P, Kowalski K, Wloch M, Kucharski SA, Musial M
3927 - 3932	Pulse radiolysis studies of the reactions of CO3 center dot- and NO2 center dot with nitrosyl(II)myoglobin and nitrosyl(II)hemoglobin Boccini F, Domazou AS, Herold S
3933 - 3946	The special five-membered ring of proline: An experimental and theoretical investigation of alkali metal cation interactions with proline and its four- and six-membered ring analogues Moision RM, Armentrout PB
3947 - 3953	CF3 rotation in 3-(trifluoromethyl)phenanthrene: Solid state F-19 and H-1 NMR relaxation and Bloch-Wangsness-Redfield theory Beckmann PA, Rosenberg J, Nordstrom K, Mallory CW, Mallory FB
3954 - 3960	CF3 rotation in 3-(trifluoromethyl)phenanthrene. X-ray diffraction and ab initio electronic structure calculations Wang XL, Mallory FB, Mallory CW, Beckmann PA, Rheingold AL, Francl MM
3961 - 3966	Conformation effects on the electronic structures of beta-alanine Tian SX
3967 - 3976	Ammoniated electron as a solvent stabilized multimer radical anion Shkrob IA
3977 - 3985	Electronic and molecular structure of aminimides (1-acyl-2,2,2-trimethyldiazan-2-ium-1-ide). 1. Formaminimide (HCON-N+Me3) Gheorghiu MD, Racoveanu A, Zakin MR
3986 - 3991	Efficient photochemical merocyanine-to-spiropyran ring closure mechanism through an extended conical intersection seam. A model CASSCF/CASPT2 study Gomez I, Reguero M, Robb MA
3992 - 4000	Gas-phase DNA oligonucleotide structures. A QM/MM and atoms in molecules study Robertazzi A, Platts JA
4001 - 4011	Reaction mechanism between carbonyl oxide and hydroxyl radical: A theoretical study Mansergas A, Anglada JM
4012 - 4020	Adenine tautomers: Relative stabilities, ionization energies, and mismatch with cytosine Guerra CF, Bickelhaupt FM, Saha S, Wang F
4021 - 4033	Density functional study of electron paramagnetic resonance parameters and spin density distributions of dicopper(I) complexes with bridging azo and tetrazine radical-anion ligands Remenyi C, Reviakine R, Kaupp M
4034 - 4041	Parametrizing PCM to obtain solvation free energies from group contributions. 1 Mendes CLD, da Silva CO, da Silva EC
4042 - 4052	Structure and hydrogen bonding in liquid and supercritical aqueous NaCl solutions at a pressure of 1000 bar and temperatures up to 500 degrees C: A comprehensive experimental and computational study Bondarenko GV, Gorbaty YE, Okhulkov AV, Kalinichev AG
4053 - 4056	Oxygen atom transfer energetics: Assessment of the effect of method and solvent Dinescu A, Whiteley C, Combs RR, Cundari TR
4057 - 4064	Small ScCn cyclic clusters: A density functional study of their structure and stability Redondo P, Barrientos C, Largo A
4065 - 4070	Dynamics of the intermolecular transfer integral in crystalline organic semiconductors Troisi A, Orlandi G
4071 - 4079	Geometries and electronic properties of the neutral and charged rare earth Yb-doped Si-n (n=1-6) clusters: A relativistic density functional investigation Zhao RN, Ren ZY, Guo P, Bai JT, Zhang CH, Han JG
4080 - 4088	Heats of transfer in the diffusion layer before the surface and the surface temperature for a catalytic hydrogen oxidation (H-2+(1/2)O-2 -> H2O) reaction Zhu LJ, Koper GJM, Bedeaux D
4089 - 4092	Stability of carbon-nitrogen cages in fourfold symmetry Strout DL
4093 - 4099	Thermochemistry of the chromium hydroxides Cr(OH)(n), n=2-6, and the oxyhydroxide CrO(OH)4: Ab initio predictions Nielsen IMB, Allendorf MD
4100 - 4106	The flexible, polarizable, thole-type interaction potential for water (TTM2-F) revisited Fanourgakis GS, Xantheas SS
4107 - 4114	Theoretical investigation on the replacement of CH groups by n atoms in caged structure (CH)(8) Zhou G, Pu XM, Wong NB, Tian AM, Zhou HW
4115 - 4123	Time dependent density functional theory modeling of chiroptical properties of small amino acids in solution Kundrat MD, Autschbach J
4124 - 4130	Products of the triplet excited state produced in the radiolysis of liquid benzene Enomoto K, LaVerne JA, Pimblott SA
4131 - 4132	Comment on "Controversy on the first ionization potential of PuO2 (Nearly) settled by new experimental evidence" Gibson JK, Santos M, Marcalo J, Leal JP, de Matos AP, Haire RG