화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.107, No.43 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (26 articles)

9045 - 9050 Kinetic model for determination of reaction and polarization dynamics from chemically induced electron spin polarized electron spin resonance spectra
Adrian FJ
9051 - 9058 Vibrational mode coupling to ultrafast electron transfer in [(CN)(5)OsCNRu(NH3)(5)](-) studied by femtosecond infrared spectroscopy
Tivansky AV, Wang CF, Walker GC
9059 - 9069 Semiclassical theory of vibrational energy relaxation in the condensed phase
Shi Q, Geva E
9070 - 9078 Vibrational energy relaxation in liquid oxygen from a semiclassical molecular dynamics simulation
Shi Q, Geva E
9079 - 9085 Photochemical isomerization of colchicine and thiocolchicine
Bussotti L, Cacelli I, D'Auria M, Foggi P, Lesma G, Silvani A, Villani V
9086 - 9098 Electron paramagnetic resonance line shifts and line shape changes due to spin exchange between nitroxide free radicals in liquids. 3. Extension to five hyperfine lines. Additional line shifts due to re-encounters
Bales BL, Peric M
9099 - 9104 Solvation of yttrium with ammonia: An experimental and theoretical study
Simard B, Rayner DM, Benichou E, Mireles N, Tenorio FJ, Martinez A
9105 - 9112 Absolute resonance Raman intensity analysis of isopropyl nitrate in the condensed phase
McLaughlin RP, Nyholm BP, Reid PJ
9113 - 9131 Multidimensional infrared signatures of intramolecular hydrogen bonding in malonaldehyde
Hayashi T, Mukamel S
9132 - 9136 Wide-temperature-range kinetics of the reactions of Cu with Cl-2 and N2O and of CuCl with Cl-2
Cosic B, Belyung DP, Hranisavljevic J, Fontijn A
9137 - 9146 Determination of the rate constant for the radical-radical reaction CN(X-2 Sigma(+))+OH(X-2 Pi) at 292 K
Decker BK, Macdonald RG
9147 - 9159 Ab initio calculations for hydrocarbons: Enthalpy of formation, transition state geometry, and activation energy for radical reactions
Saeys M, Reyniers MF, Marin GB
9160 - 9167 Manifestations of symmetry breaking in self-consistent field electronic structure calculations
Dunietz BD, Head-Gordon M
9168 - 9174 Ab initio characterization of ClNO3 isomers
Lesar A, Prebil S, Hodoscek M
9175 - 9181 Quantifying the role of water in protein-carbohydrate interactions
Tschampel SM, Woods RJ
9182 - 9188 The S-H bond dissociation enthalpies and acidities of para and meta substituted thiophenols: A quantum chemical study
Chandra AK, Nam PC, Nguyen MT
9189 - 9196 Gas-phase reactions between silane and ammonia: A theoretical study
Hu SW, Wang Y, Wang XY, Chu TW, Liu XQ
9197 - 9207 Solvent effects on the energetics of the phenol O-H bond: Differential solvation of phenol and phenoxy radical in benzene and acetonitrile
Guedes RC, Coutinho K, Cabral BJC, Canuto S, Correia CF, dos Santos RMB, Simoes JAM
9208 - 9220 Conformational analysis of glutathione in aqueous solution with molecular dynamics
Lampela O, Juffer AH, Rauk A
9221 - 9231 Hydrogen atom addition to cytosine, 1-methylcytosine, and cytosine-water complexes. A computational study of a mechanistic dichotomy
Turecek F, Yao CX
9232 - 9239 Bifurcated hydrogen bonds in crystal structures of new phosphorochromone derivatives
Rybarczyk-Pirek AJ, Grabowski SJ, Nawrot-Modranka J
9240 - 9247 Radical yields in the radiolysis of branched hydrocarbons: Tertiary C-H bond rupture in 2,3-dimethylbutane, 2,4-dimethylpentane, and 3-ethylpentane
Schuler RH, Wojnarovits L
9248 - 9248 Comment on "Kinetics of a Diels-Alder reaction of maleic anhydride and isoprene in supercritical CO2"
Alexander GC, Paulaitis ME
9249 - 9249 Reply to comment on "Kinetics of a Diels-Alder reaction of maleic anhydride and isoprene in supercritical CO2"
Glebov EM, Krishtopa LG, Stepanov V, Krasnoperov LN
9250 - 9250 Comment on "Rationalizing the strength of hydrogen-bonded complexes. Ab initio HF and DFT studies"
Schneider HJ
9251 - 9252 Reply to comment on "Rationalizing the strength of hydrogen-bonded complexes. Ab initio HF and DFT studies"
Lukin O, Leszczynski J