Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.13 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (25 articles)

2455 - 2457	Reaction force decomposition of activation barriers to elucidate solvent effects Burda JV, Toro-Labbe A, Gutierrez-Oliva S, Murray JS, Politzer P
2458 - 2460	Direct determination of collision rates beyond the Lennard-Jones model through state-resolved measurements of strong and weak collisions Havey DK, Liu Q, Li ZM, Elioff M, Fang M, Neudel J, Mullin AS
2461 - 2468	Gas-phase reactivity of selected transition metal cations with CO and CO2 and the formation of metal dications using a sputter ion source Herman J, Foutch JD, Davico GE
2469 - 2474	Early time hydrogen-bonding dynamics of photoexcited coumarin 102 in hydrogen-donating solvents: Theoretical study Zhao GJ, Han KL
2475 - 2479	Infrared laser spectroscopy of uracil and thymine in helium nanodroplets: Vibrational transition moment angle study Choi MY, Miller RE
2480 - 2491	Infrared spectra of the CH3-MX and CH2-MHX complexes formed by reactions of laser-ablated group 3 metal atoms with methyl halides Cho HG, Andrews L
2492 - 2497	Scroll wave filaments terminate in the back of traveling fronts Bansagi T, Palczewski C, Steinbock O
2498 - 2506	Vibrational spectroscopy of 1,1-difluorocyclopropane-d(0), -d(2), and -d(4): The equilibrium structure of difluorocyclopropane Craig NC, Feller D, Groner P, Hsin HY, McKean DC, Nemchick DJ
2507 - 2510	Hydroxyl radical as a probe of the charge distribution in aromatics: Phenol Albarran G, Schuler RH
2511 - 2516	Elucidating the mechanisms of acidochromic spiropyran-merocyanine interconversion Wojtyk JTC, Wasey A, Xiao NN, Kazmaier PM, Hoz S, Yu C, Lemieux RP, Buncel E
2517 - 2526	Variation of one-bond X-Y coupling constants (1)J(X-Y) and the components of (1)J(X-Y) with rotation about the X-Y bond for molecules HmX-YHn, with X, Y=N-15, O-17, P-31, S-33: The importance of nonbonding pairs of electrons Del Bene JE, Elguero J
2527 - 2541	Reactions of hydrated electron with various radicals: Spin factor in diffusion-controlled reactions Ichino T, Fessenden RW
2542 - 2546	Microwave and quantum chemical study of propa-1,2-dienyl thiocyanate (H2C=CCSC=N) Mollendal H, Cole GC, Guillemin JC
2547 - 2554	Atmospheric chemistry of a model biodiesel fuel, CH3C(O)O(CH2)(2)OC(O)CH3: Kinetics, mechanisms, and products of Cl atom and OH radical initiated oxidation in the presence and absence of NOx Hurley MD, Ball JC, Wallington TJ, Toft A, Nielsen OJ, Bertman S, Perkovic M
2555 - 2562	Atmospheric chemistry of linear perfluorinated aldehydes: Dissociation kinetics of CnF2n+1CO radicals Waterland RL, Dobbs KD
2563 - 2573	Quantum chemical investigation of formation of polychlorodibenzo-p-dioxins and dibenzofurans from oxidation and pyrolysis of 2-chlorophenol Altarawneh M, Dlugogorski BZ, Kennedy EM, Mackie JC
2574 - 2586	Equilibrium vs ground-state planarity of the CONH linkage Demaison J, Csaszar AG, Kleiner I, Mollendal H
2587 - 2601	Elusive forms and structures of N-hydroxyphthalimide: The colorless and yellow crystal forms of N-hydroxyphthalimide Reichelt H, Faunce CA, Paradies HH
2602 - 2609	Equilibrium structure of sulfuric acid Demaison J, Herman M, Lievin J, Rudolph HD
2610 - 2618	Stereographic projection diffusion monte carlo (SPDMC) algorithms for molecular condensed matter Aviles MW, Curotto E
2619 - 2624	Molecular and electronic structure of 1,8-peribridged naphthalenes Novak I, Harrison LJ, Li W, Kovac B
2625 - 2628	BFW: A density functional for transition metal clusters Addicoat MA, Buntine MA, Metha GF, Gilbert ATB, Gill PMW
2629 - 2633	Validation of the existence of tetrameric species of potassium trimethylsilanolate in the gas phase with a theoretical cluster model: Role of the counterion as charge localizer in the structure Montejo M, Cabeza AJC, Urena FP, Marquez F, Gonzalez JJL
2634 - 2639	Ground and excited states of singlet, cation doublet, and anion doublet states of o-benzoquinone: A theoretical study Honda Y, Hada M, Ehara M, Nakatsuji H
2640 - 2640	Comment on "chemoselectives in acetalization, thioacetalization, oxathioacetalization and azathioacetalization" Bultinck P, Carbo-Dorca R