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