Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.105, No.13 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (62 articles)

2925 - 2928	Laser excitation spectra of large alkoxy radicals containing 5-12 carbon atoms Carter CC, Gopalakrishnan S, Atwell JR, Miller TA
2929 - 2932	Coherent response of hydrogen bonds in liquids probed by ultrafast vibrational spectroscopy Stenger J, Madsen D, Dreyer J, Nibbering ETJ, Hamm P, Elsaesser T
2933 - 2935	The effect of Criegee-intermediate scavengers on the OH yield from the reaction of ozone with 2-methylbut-2-ene Johnson D, Lewin AG, Marston G
2936 - 2941	How well can hybrid density functional methods predict transition state geometries and barrier heights? Lynch BJ, Truhlar DG
2942 - 2955	The semiclassical initial value representation: A potentially practical way for adding quantum effects to classical molecular dynamics simulations Miller WH
2956 - 2960	Experimental and theoretical studies of the reactions of excited calcium atoms with ethyl and n-propyl bromides Han KL, Zhang L, Xu DL, He GZ, Lou NQ
2961 - 2966	Time-domain observation of external magnetic field effects on the delayed fluorescence of N,N,N',N'-tetramethyl-1,4-phenylenediamine in alcoholic solution Iwasaki Y, Maeda K, Murai H
2967 - 2972	2D-measurement of Penning ionization cross section upon molecular orientation and collision energy in Ar(P-3(2,0))+CHCl3 crossed beam reaction Yamato M, Ohoyama H, Kasai T
2973 - 2979	Experimental and theoretical studies of the VUV photoionization of chloropropylene oxide Liu FY, Li CX, Wu GH, Gao H, Qi F, Sheng LS, Zhang YW, Yu SQ, Chien SH, Li WK
2980 - 2988	Evidence for a continuous transition from nonadiabatic to adiabatic proton transfer dynamics in protic liquids Cohen B, Huppert D
2989 - 2996	Solvent effect on rotational relaxation time of ammonium ion Masuda Y
2997 - 3007	Reaction pathways of the electron transfer from photoexcited 10-methylphenothiazines to electron acceptors in polar solvents. Effects of magnetic fields and heavy atoms on efficiency of free ion formation Shimada E, Nagano M, Iwahashi M, Mori Y, Sakaguchi Y, Hayashi M
3008 - 3015	Density functional study of reactions of phenoxides with polycarbonate Ballone P, Jones RO
3016 - 3021	Microscopic structure in a Shpol'skii system: A single-molecule study of dibenzanthanthrene in n-tetradecane Bloess A, Durand Y, Matsushita M, Verberk R, Groenen EJJ, Schmidt J
3022 - 3028	Line broadening and line shifts in one- and two-photon single-molecule spectra Walser D, Zumofen G, Renn A, Plakhotnik T
3029 - 3033	Raman and fluorescence spectra of size-selected, matrix-isolated C-14 and C-18 neutral carbon clusters Rechtsteiner GA, Felix C, Ott AK, Hampe O, Van Duyne RP, Jarrold MF, Raghavachari K
3034 - 3038	Vibronic spectroscopy of benzyl-type radicals: Jet-cooled o-fluorobenzyl radical in the D-1 -> D-0 transition Lee SK, Lee SK
3039 - 3041	Observation of perfluoromethylnitrene in cryogenic matrixes Gritsan NP, Likhotvorik I, Zhu ZD, Platz MS
3042 - 3051	A spectroscopic and theoretical investigation of charge transfer complexes between silver and nitric oxide: Infrared spectra and density functional calculations of AgNO+,0,- and Ag-x(NO)(y) clusters (x, y=1, 2) in solid argon and neon Citra A, Andrews L
3052 - 3063	Observed and calculated infrared spectra of Pd(H-2)(1,2,3) complexes and palladium hydrides in solid argon and neon Andrews L, Wang XF, Alikhani ME, Manceron L
3064 - 3070	Structure and dynamics of maleic anhydride Parker SF, Wilson CC, Tomkinson J, Keen DA, Shankland K, Ramirez-Cuesta AJ, Mitchell PCH, Florence AJ, Shankland N
3071 - 3076	Pressure and temperature dependence of the F-7(0) -> D-5(0) excitation spectrum of europium(III) as a probe of the thermodynamics and solation structure of complexes of europium(III) with polyaminocarboxylate ligands Maupin CL, Mondry A, Leifer L, Riehl JP
3077 - 3086	Infrared spectroscopic study on photolysis of ethyl iodide in solid parahydrogen: Perdeuterated iodide system Sogoshi N, Wakabayashi T, Momose T, Shida T
3087 - 3095	Matrix isolation infrared and ab initio study of the 1 : 1 complexes of cyclopentadiene with nitrogen and oxygen bases: C-H center dot center dot center dot(NO) hydrogen bonding involving an sp(3)-hbridized carbon Hilfiker MA, Mysak ER, Samet C, Maynard A
3096 - 3106	Heterogeneous reactivity of gaseous nitric acid on Al2O3, CaCO3, and atmospheric dust samples: A Knudsen cell study Hanisch F, Crowley JN
3107 - 3122	Kinetics of reactions of H atoms with methane and chlorinated methanes Bryukov MG, Slagle IR, Knyazev VD
3123 - 3131	Zero-order conversion kinetics of dilithium adduct of diphenyl acetylene: Enhanced stationary state approximation Penchina CM, Szwarc M
3132 - 3139	Is the H2OCl+ ion a viable intermediate for the hydrolysis of ClONO2 on ice surfaces? Bianco R, Thompson WH, Morita A, Hynes JT
3140 - 3147	A theoretical study of the gas-phase pyrolysis of 2-azidoacetic acid Cordeiro MNDS, Dias AA, Costa ML, Gomes JANF
3148 - 3157	Thermal reactions of isodihydrobenzofuran: Experimental results and computer modeling Lifshitz A, Suslensky A, Tamburu C
3158 - 3166	Reversible photoionization in liquid solutions Burshtein AI, Ivanov KL
3167 - 3175	Kinetic study of the reactions of BrO radicals with HO2 and DO2 Bedjanian Y, Riffault V, Poulet G
3176 - 3181	Sonolysis of 2,4-dichlorophenoxyacetic acid in aqueous solutions. Evidence for (OH)-O-center dot-radical-mediated degradation Peller J, Wiest O, Kamat PV
3182 - 3189	CO chemiluminescence and kinetics of the C-2+O-2 reaction Fontijn A, Fernandez A, Ristanovic A, Randall MY, Jankowiak JT
3190 - 3195	Sulfite stabilization and reduction of the aqueous mercuric ion: Kinetic determination of sequential formation constants Van Loon LL, Mader EA, Scott SL
3196 - 3204	Kinetics of the reactions of allyl and propargyl radicals with CH3 Knyazev VD, Slagle IR
3205 - 3213	Infrared frequency-modulation probing of product formation in alkyl plus O-2 reactions: II. The reaction of C3H7 with O-2 between 296 and 683 K DeSain JD, Clifford EP, Taatjes CA
3214 - 3220	Delocalization of electrons in molecules Herges R, Geuenich D
3221 - 3225	Conformational stabilization of 1,3-benzodioxole: Anomeric effect by natural bond orbital analysis Moon S, Kwon Y, Lee J, Choo J
3226 - 3231	Enthalpy surfaces for hydrogen atom transfer in a molecular crystal Tikhomirov VA, Soudackov AV, Basilevsky MV
3232 - 3239	Ab initio based configuration interaction study of the electronic spectrum of GeS Dutta A, Chattopadhyaya S, Das KK
3240 - 3248	DFT modeling of chemical vapor deposition of GaN from organogallium precursors. 1. Thermodynamics of elimination reactions Timoshkin AY, Bettinger HF, Schaefer HF
3249 - 3258	DFT modeling of chemical vapor deposition of GaN from organogallium precursors. 2. Structures of the oligomers and thermodynamics of the association processes Timoshkin AY, Bettinger HF, Schaefer HF
3259 - 3268	Steric effects in S(N)2 reactions. The influence of microsolvation Mohamed AA, Jensen F
3269 - 3276	Quantum chemical descriptions of FOOF: The unsolved problem of predicting its equilibrium geometry Kraka E, He Y, Cremer D
3277 - 3283	Carbon-13 NMR chemical shifts of dimeric model compounds of poly(propylene oxide): A proof of existence of the (C-H)center dot center dot center dot O attraction Sasanuma Y, Iwata T, Kato Y, Kato H, Yarita T, Kinugasa S, Law RV
3284 - 3299	A theoretical investigation of the triplet carbon atom C(P-3) plus vinyl radical C2H3((2)A') reaction and thermochemistry of C3Hn (n=1-4) species Ngugen TL, Mebel AM, Kaiser RI
3300 - 3310	Solvation effects on the S(N)2 reaction between CH3Cl and Cl-in water Ensing B, Meijer EJ, Blochl PE, Baerends EJ
3311 - 3327	The optical spectra of NiP, NiPz, NiTBP, and NiPc: Electronic effects of meso-tetraaza substitution and tetrabenzo annulation Rosa A, Ricciardi G, Baerends EJ, van Gisbergen SJA
3328 - 3339	Electron-spin magnetic moment (g factor) of X-2 Sigma(+) diatomic radicals MX(+/-) with nine valence electrons (M = Be, B, Mg, Al; X = N, O, F, P, S, Cl). An ab initio study Bruna PJ, Grein F
3340 - 3358	The geometric and electronic structures of niobium carbon clusters Harris H, Dance I
3359 - 3364	Dynamics of the H+O-2 -> O+OHchain-branching reaction: Accurate quantum mechanical and experimental absolute reaction cross sections Abu Bajeh M, Goldfield EM, Nanf A, Kappel C, Meijer AJHM, Volpp HR, Wolfrum J
3365 - 3370	Heisenberg Hamiltonian for poly-ynes. Extraction and tests Ghailane R, Malrieu JP, Maynau D
3371 - 3378	An ab initio study of anharmonicity and field effects in hydrogen-bonded complexes of the deuterated analogues of HCl and HBr with NH3 and N(CH3)(3) Bevitt J, Chapman K, Crittenden D, Jordan MJT, Del Bene JE
3379 - 3387	Thiouracils: Acidity, basicity, and interaction with water Kryachko E, Nguyen MT, Zeegers-Huyskens T
3388 - 3399	Theoretical study on reaction mechanism of the methylidyne radical with nitrogen dioxide Tao YG, Ding YH, Li ZS, Huang XR, Sun CC
3400 - 3406	High-resolution inner-shell photoabsorption and dissociation of ozone Stranges S, Alagia H, Fronzoni G, Decleva P
3407 - 3416	Theoretical bond energies: A critical evaluation Exner K, Schleyer PV
3417 - 3424	U-shaped donor [bridge] acceptor systems with remarkable charge transfer fluorescent properties: An experimental and computational investigation Koeberg M, de Groot M, Verhoeven JW, Lokan NR, Shephard MJ, Paddon-Row MN
3425 - 3427	Thermochromism of salicylideneanilines in solution: Aggregation-controlled proton tautomerization Ogawa K, Harada J, Fujiwara T, Yoshida S
3428 - 3429	Comment on "Phantom activation volumes" le Noble WJ, Asano T
3430 - 3432	Reply to "Comment on phantom activation volumes" Firestone RA, Swiss KA