Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.105, No.11 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (46 articles)

2127 - 2128	Tribute to Aron Kuppermann Bowman JM, Kaye JA, Schatz GC, Truhlar DG
2129 - 2141	Autobiographical notes of Aron Kuppermann [Anonymous]
2142 - 2146	Do nitrogen-atom-containing endohedral fullerenes undergo the shrink-wrap mechanism? Cao BP, Peres T, Cross RJ, Saunders M, Lifshitz C
2147 - 2155	Theoretical investigations of intramolecular energy transfer rates and pathways for vinyl bromide on an ab initio potential-energy surface Rahaman A, Raff LM
2156 - 2172	Trajectory investigations of the dissociation dynamics of vinyl bromide on an ab initio potential-energy surface Rahaman A, Raff LM
2173 - 2182	Time-dependent quantum mechanical calculations on the formation of molecular hydrogen on a graphite surface via an Eley-Rideal mechanism Meijer AJHM, Farebrother AJ, Clary DC, Fisher AJ
2183 - 2191	High resolution pulsed field ionization-photoelectron bands for CS2+((A)over-tilde(2)pi(u)): An experimental and theoretical study Liu JB, Hochlaf M, Chambaud G, Rosmus P, Ng CY
2192 - 2197	Ab initio direct dynamics study of OOH+H -> H-2+O-3(2) Thurman GM, Steckler R
2198 - 2208	On the conical intersection and the possibility of a new assignment for molecular systems Baer M
2209 - 2215	Quantum mechanical studies on the BrO plus ClO reaction Papayannis DK, Kosmas AM, Melissas VSR
2216 - 2224	Mechanistic and energetic details of adduct formation and sigma-bond activation in Zr+(H-2)(n) clusters Bushnell JE, Kemper PR, van Koppen P, Bowers MT
2225 - 2227	Electron-impact spectroscopy investigation of diketene Xavier IM, Walzl KN, Giorgi MR
2228 - 2233	Distribution of rovibrational product states for the "prompt" reaction H+D-2(nu=0,j=0-4) -> HD(nu '=1,2,j ')+D near 1.6 eV collision energy Bean BD, Fernandez-Alonso F, Zare RN
2234 - 2239	Photodissociation dynamics of tert-butyl nitrite on Ag(111): Characterization of translationally and internally excited NO fragments Zhao W, Kim C, White JM, Kim SK
2240 - 2245	An interpolated ab initio quantum scattering study of the temperature dependence of the CH3+HBr -> CH4+Br reaction Yu HG, Nyman G
2246 - 2250	Vibrational calculations for the HD2 first-excited electronic state using a coordinate-transformation technique Xu ZR, Varandas AJC
2251 - 2256	Coriolis-coupled quantum dynamics for 0(D-1)+H-2 -> OH+H Carroll TE, Goldfield EM
2257 - 2265	Geometry, energy, and vibrational frequencies of the bis(dicyanomethylene)squarilium dianion Lunelli B, Monari M, Bottoni A
2266 - 2269	Photochemical generation of methane within NO-ethene heteroclusters DeLeon RL, Rexer EF, Garvey JF
2270 - 2280	Above-threshold effects in the photodissociation and photoionization of iodobenzene Unny S, Du Y, Zhu LC, Truhins K, Gordon RJ, Sugita A, Kawasaki M, Matsumi Y, Delmdahl R, Parker DH, Berces A
2281 - 2284	Possible mechanism of OH frequency shift dynamics in water Georgievskii Y, Marcus RA
2285 - 2297	A quasiclassical trajectory study of the Cl+HCN -> HCl+CN reaction dynamics. Microscopic reaction mechanism of the H(Cl)+HCN -> H-2(HCl)+CN reactions Troya D, Gonzalez M, Wu GS, Schatz GC
2298 - 2307	Thermal and state-selected rate coefficients for the O(P-3)+HCl reaction and new calculations of the barrier height and width Skokov S, Zou SL, Bowman JM, Allison TC, Truhlar DG, Lin YJ, Ramachandran B, Garrett BC, Lynch BJ
2308 - 2311	Transition moments between w(3)Pi(g) state and the first three (3)Sigma(u) and (3)Pi(u) states of the hydrogen molecule Staszewska G
2312 - 2320	Equal thermodynamic distance and equipartition of forces principles applied to binary distillation Sauar E, Siragusa G, Andresen B
2321 - 2329	Reactive scattering dynamics on conically intersecting potential energy surfaces: The H+H-2 exchange reaction Mahapatra S, Koppel H, Cederbaum LS
2330 - 2339	Quantum mechanical calculation of reaction probabilities and branching ratios for the O(D-1)+HD -> OH(OD)+D(H) reaction on the (X)over-tilde(1)A ' and 1(1)A '' adiabatic potential energy surfaces Hankel M, Balint-Kurti GG, Gray SK
2340 - 2347	Application of quantum-dressed classical mechanics: Molecule surface scattering Billing GD
2348 - 2351	On the quenching of rovibrationally excited molecular oxygen at ultracold temperatures Balakrishnan N, Dalgarno A
2352 - 2360	Beyond the potential energy surface: Ab initio corrections to the Born-Oppenheimer approximation for H2O Schwenke DW
2361 - 2368	Li+HF: A case study to develop novel computational technologies for reactive scattering Lagana A, Crocchianti S
2369 - 2373	Dynamics of dissociative recombination of molecular ions: Three-body breakup of triatomic di-hydrides Datz S
2374 - 2383	Substituent effects in the binding of alkali metal ions to pyridines, studied by threshold collision-induced dissociation and ab initio theory: The methylpyridines Rodgers MT
2384 - 2390	Absorption spectra of trapped electrons in nonpolar glasses: Oscillator strengths and threshold behaviors McGrane SD, Lipsky S
2391 - 2400	Theoretical modeling of the hydrogen abstraction reaction of fluoromethane by the hydroxyl radical Lien PY, You RM, Hu WP
2401 - 2409	Potential energy surfaces for F-H-2 and Cl-H-2: Long-range interactions and nonadiabatic couplings Aquilanti V, Cavalli S, Pirani F, Volpi A, Cappelletti D
2410 - 2413	A mechanical analogue of monotropism: Ordering of an ensemble of hemispheres Lunelli B
2414 - 2422	Dynamics of the N(D-2)+D-2 reaction from crossed-beam and quasiclassical trajectory studies Balucani N, Alagia M, Cartechini L, Casavecchia P, Volpi GG, Pederson LA, Schatz GC
2423 - 2426	Adiabatic rotation, centrifugal sudden, and exact calculations of rotationally mediated Fermi resonances in HOCl Zou SL, Skokov S, Bowman JM
2427 - 2434	Branching ratio and pressure dependent rate constants of multichannel unimolecular decomposition of gas-phase alpha-HMX: An ab initio dynamics study Zhang SW, Truong TN
2435 - 2443	Production and study of triply charged diatomic ions with femtosecond pulses: Application to Cl-2(3+) Verver RJ, Matusek DR, Wright JS, Gibson GN, Bhardwaj R, Aseyev S, Villeneuve DM, Corkum PB, Ivanov MY
2444 - 2452	Collision-induced dissociation and theoretical studies of Cu+-dimethyl ether complexes Koizumi H, Zhang XG, Armentrout PB
2453 - 2457	Anharmonic semiclassical variational transition-state theory rate constant model for H atom association with different sites on the diamond {111} surface Song KY, Hase WL
2458 - 2467	Calculation of the Raman spectrum of photodissociating H2S around 195 nm Skouteris D, Hartke B, Werner HJ
2468 - 2473	Adsorbate vibrational effects on the photodesorption of CO from Cu(001) Micha DA, Santana A
2474 - 2484	Quasi-classical trajectory studies of the insertion reactions S(D-1)+H-2, HD, and D-2 Chao SD, Skodje RT