Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.105, No.40 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (28 articles)

9085 - 9093	A comparison of simulated and experimental voltammograms obtained for the [Fe(CN)(6)](3-/4-) couple in the absence of added supporting electrolyte at a rotating disk electrode Stevens NPC, Rooney MB, Bond AM, Feldberg SW
9094 - 9103	A model of inhomogeneous broadening and pressure induced hole shifts in the optical spectra of organic chromophores in glasses Renge I
9104 - 9110	The 5s-4d Rydberg states of C2H2 and C2D2 studied by resonant multiphoton ionization and synchrotron radiation: Structure and stability Campos A, Boye S, Douin S, Fellows C, Fillion JH, Shafizadeh N, Gauyacq D
9111 - 9122	Two-dimensional Penning ionization electron spectroscopy of dichlorobenzenes: Orbital reactivity and anisotropic interaction of dichlorobenzenes with He*(2(3)S) Imura K, Kishimoto N, Ohno K
9123 - 9129	Quantum-chemical modeling and analysis of the vibrational structure in the phosphorescence spectrum of C-60 Giuffreda MG, Negri F, Orlandi G
9130 - 9141	Hydroxyl radical adducts to pyridine. The generation and properties of the elusive N-hydroxypyridyl radical Vivekananda S, Wolken JK, Turecek F
9142 - 9155	Reactivity and role of SO5 center dot- radical in aqueous medium chain oxidation of sulfite to sulfate and atmospheric sulfuric acid generation Das TN
9156 - 9165	Application of the unequal distances of closest approach theory to the analysis of double-layer effects on Zn(II) reduction at a mercury electrode Lopez-Perez G, Andreu R, Gonzalez-Arjona D, Molero M, Calvente JJ
9166 - 9177	Unimolecular reactivity of protonated alpha,omega-alkanediamines in the gas phase Bouchoux G, Choret N, Berruyer-Penaud F, Flammang R
9178 - 9182	Mechanisms of formation of vinoxy radicals in the reaction of O((3)p) with terminal alkenes Su HM, Bersohn R
9183 - 9187	Large amplitude pH oscillations in the hydrogen peroxide-dithionite reaction in a flow reactor Kovacs KM, Rabai G
9188 - 9195	Chemical shifts and spin-spin coupling constants in Me alpha-D-xylopyranoside: A DFT approach Malkina OL, Hricovini M, Bizik F, Malkin VG
9196 - 9202	Heats of formation from DFT calculations: An examination of several parameterizations Guthrie JP
9203 - 9210	Theoretical conformational analysis of 1,3-dimethoxypropane and 14-crown-4: Importance of stabilizing intramolecular interactions Bultinck P, Van Alsenoy C, Goeminne A
9211 - 9218	The failure of generalized gradient approximations (GGAs) and meta-GGAs for the two-center three-electron bonds in He-2(+), (H2O)(2)(+), and (NH3)(2)(+) Gruning M, Gritsenko OV, van Gisbergen SJA, Baerends EJ
9219 - 9221	Kinetic equations in Hamiltonian treatments Finkel RW
9222 - 9230	Evidence of a possible cycloaddition channel in the ethene+NO3 reaction Cartas-Rosado R, Santoyo MER, Alvarez-Idaboy JR, Vivier-Bunge A
9231 - 9242	Experimental and theoretical electron density study of the peroxo function in oxoperoxo(pyridine-2,6-dicarboxylato)(hexamethylphosphoramide)molybdenum (VI): Implications for olefin epoxidation by peroxo transition metal complexes Macchi P, Schultz AJ, Larsen FK, Iversen BB
9243 - 9251	Transition state structures and intermediates modeling carboxylation reactions catalyzed by rubisco. a quantum chemical study of the role of magnesium and its coordination sphere Oliva M, Safont VS, Andres J, Tapia O
9252 - 9257	S-0 and S-1 states of monochlorophenols: Ab initio CASSCF MO study Hirokawa S, Imasaka T, Imasaka T
9258 - 9264	Ab initio structures and vibrational spectra of Li[C(CF3SO2)(3)] and Li[CH(CF3SO2)(2)] Johansson P
9265 - 9274	Can fulvenes form from enediynes? A systematic high-level computational study on parent and benzannelated enediyne and enyne-allene cyclizations Prall M, Wittkopp A, Schreiner PR
9275 - 9283	Photoinduced electron and proton transfer in phenol and its clusters with water and ammonia Sobolewski AL, Domcke W
9284 - 9297	An interpretation of the vapor phase second virial coefficient isotope effect: Correlation of virial coefficient and vapor pressure isotope effects Van Hook WA, Rebelo LPN, Wolfsberg M
9298 - 9304	Binary diol-water systems studied by O-17 nuclear magnetic resonance spectroscopy. Interpretation of the effect of diol structure on O-17-water chemical shift. Formation of networks of water molecules stabilized by weak C-H...O interactions Klein RA, Pacheco V
9305 - 9309	Ionic liquids: Novel media for characterization of radical ions Marcinek A, Zielonka J, Gebicki J, Gordon CM, Dunkin IR
9310 - 9315	The effect of solvent and ions on the structure and rheological properties of guar solutions Gittings MR, Cipelletti L, Trappe V, Weitz DA, In M, Lal J
9316 - 9322	Effect of molecular hydrogen on hydrogen peroxide in water radiolysis Pastina B, LaVerne JA