Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.107, No.39 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (44 articles)

7667 - 7670	The kinetic isotope effects in the reactions of four ethene isotopologues with chlorine and bromine atoms Enghoff MB, von Hessberg P, Nielsen CJ, Johnson MS
7671 - 7674	Kinetic study and determination of the enthalpies of activation of the dehydrogenation of titanium- and zirconium-doped NaAlH4 and Na3AlH6 Kiyobayashi T, Srinivasan SS, Sun DL, Jensen CM
7675 - 7683	Concentration-dependent isotope effects in electron transfer-mediated reactions photocyanation of biphenyl and dimethylbiphenyls Gronheid R, Baggerman J, Lodder G
7684 - 7691	Electronic absorption and fluorescence properties of 2,5-diarylidene-cyclopentanones Connors RE, Ucak-Astarlioglu MG
7692 - 7696	Determination of absolute configuration in molecules with chiral axes by vibrational circular dichroism: A C-2-symmetric annelated heptathiophene and a D-2-symmetric dimer of 1,1'-binaphthyl Freedman TB, Cao XL, Rajca A, Wang H, Nafie LA
7697 - 7703	Two-dimensional correlation infrared spectroscopic study of N-methylacetamide as a function of temperature Huang H, Malkov S, Coleman M, Painter P
7704 - 7712	Cavity ringdown spectroscopy of the (A)over-tilde-(X)over-tilde electronic transition of the CH3C(O)O-2 radical Zalyubovsky SJ, Glover BG, Miller TA
7713 - 7726	Conformational and structural studies of aminomethyl cyclopropane from temperature dependent FT-IR spectra of rare gas solutions and ab initio calculations Durig JR, Zheng C, Warren RD, Groner P, Wurrey CJ, Gounev TK, Herrebout WA, van der Veken BJ
7727 - 7732	Conformations of diethoxymethane: Matrix isolation infrared and ab initio studies Venkatesan V, Sundararajan K, Viswanathan KS
7733 - 7742	Identification of a new C-3 structure and evidence for the coexistence of two (benzene)(13) cluster isomers in free jet expansions: A Monte Carlo study Easter DC
7743 - 7754	Pickup and photodissociation of hydrogen halides in floppy neon clusters Slavicek P, Jungwirth P, Lewerenz M, Nahler NH, Farnik M, Buck U
7755 - 7761	Experimental and computational studies of the kinetics and mechanisms for C6H5 reactions with acetone-h(6) and -d(6) Choi YM, Park J, Lin MC
7762 - 7769	Kinetics of the removal of OH(v=1) and OD(v= 1) by HNO3 and DNO3 from 253 to 383 K McCabe DC, Brown SS, Gilles MK, Talukdar RK, Smith IWM, Ravishankara AR
7770 - 7774	Substituent effects in the reaction of OH radicals with aromatics: Toluene Albarran G, Bentley J, Schuler RH
7775 - 7782	Production of fluorine-containing molecular species in plasma-generated atomic F flows Stueber GJ, Clarke SA, Bernstein ER, Raoux S, Porshnev P, Tanaka T
7783 - 7799	The recombination of propargyl radicals and other reactions on a C6H6 potential Miller JA, Klippenstein SJ
7800 - 7803	Diffusion-controlled electron-transfer reactions in ionic liquids Skrzypczak A, Neta P
7804 - 7808	Calculation of the energetics for oxidation of gas-phase elemental Hg by Br and BrO Tossell JA
7809 - 7817	The atmospheric fate of C-3-C-6 hydroxyalkyl nitrates Treves K, Rudich Y
7818 - 7826	Knudsen cell studies of the reaction of gaseous HNO3 with NaCl using less than a single layer of particles at 298 K: A modified mechanism Hoffman RC, Kaleuati MA, Finlayson-Pitts BJ
7827 - 7831	Theoretical study of structures, energies, and vibrational spectra of the imidazole-imidazolium system Tatara W, Wojcik MJ, Lindgren J, Probst M
7832 - 7844	Theoretical estimation of the solvent effect of the lithium isotopic reduced partition function ratio Watanabe H, Yamaji K, Sonoda A, Makita Y, Kanoh H, Ooi K
7845 - 7851	(OCS)(3) van der Waals complex: A theoretical study Valdes H, Sordo JA
7852 - 7860	Anion-water clusters A(-)(H2O)(1-6), A = OH, F, SH, Cl, and Br. An effective fragment potential test case Merrill GN, Webb SP
7861 - 7868	Theoretical conformational analysis for codeinone-6-oximes in gas phase and in solution Nagy PI, Kokosi J, Gergely A, Racz A
7869 - 7873	Theoretical study on the aromaticity of the pyramidal MB6 (M = Be, Mg, Ca, and Sr) clusters Li QS, Jin Q
7874 - 7878	Structures and conformations of ((trifluoroacetyl)imido)(trifluoromethyl)sulfur fluoride, CF3C(O)N=S(F)CF3 Hermann A, Valdez MIM, Cutin EH, Della Vedova CO, Oberhammer H
7879 - 7884	Study of H-1 NMR spectra of dinuclear complexes of heavy lanthanides with phthalocyanines based on separation of the effects of two paramagnetic centers Ishikawa N, Iino T, Kaizu Y
7885 - 7890	Theoretical studies on mechanisms of cycloaddition reaction between dichlorovinylidene and formaldehyde: Concerted and stepwise? Lu XH, Wang YX
7891 - 7899	Role of atomic electronics in f-element bond formation: Bond energies of lanthanide and actinide oxide molecules Gibson JK
7900 - 7910	Striving to understand the properties of universal nucleobases: A computational study of azole carboxamides LaPointe SM, Wetmore SD
7911 - 7914	Uracil-adenine dimer connected by an excess electron Stepanian SG, Jalbout AF, Hall CS, Adamowicz L
7915 - 7922	Molecular interactions between glycine and H2O affording the zwitterion Yamabe S, Ono N, Tsuchida N
7923 - 7930	Accurate single-valued double many-body expansion potential energy surface for ground-state HN2 Poveda LA, Varandas AJC
7931 - 7937	Protonation thermochemistry of alpha,omega-alkane diols in the gas phase: A theoretical study Bouchoux G, Berruyer-Penaud F
7938 - 7944	Effects of electron correlation and scalar relativistic corrections on the thermochemical and spectroscopic properties of HOF Ramachandran B, Vegesna NS, Peterson KA
7945 - 7951	Effects of substituents and solvents on the reactions of iminophosphorane with formaldehyde: Ab initio MO calculation and Monte Carlo simulation Xue Y, Kim CK
7952 - 7961	Effect of micro and bulk solvation on the mechanism of nucleophilic substitution at sulfur in disulfides Hayes JM, Bachrach SM
7962 - 7968	Ab initio calculations of intermolecular interaction of CHF3 dimer: Origin of attraction and magnitude of CH/F interaction Tsuzuki S, Uchimaru T, Mikami M, Urata S
7969 - 7980	Geometries, electronic g-tensor elements, hyperfine coupling constants, and vertical excitation energies for small gallium arsenide doublet radicals, GaxAsy (x + y=3, 5) Brownridge S, Grein F
7981 - 7984	Structures and stabilities of B2H2n2+ dications (n=1-4) Dias JF, Rasul G, Seidl PR, Prakash GKS, Olah GA
7985 - 7990	Performance of the RB3-LYP, RMP2, and UCCSD(T) procedures in calculating radical stabilization energies for center dot NHX radicals Wood GPF, Henry DJ, Radom L
7991 - 7996	Rate of ON-OO- bond homolysis and the Gibbs energy of formation of peroxynitrite Lymar SV, Poskrebyshev GA
7997 - 8008	Spatial structure formation in precipitation reactions Muller SC, Ross J