Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.106, No.50 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (25 articles)

11993 - 11996	Hydrogen bond dynamics in water and ultrafast infrared spectroscopy Rey R, Moller KB, Hynes JT
11997 - 12001	Coherent vibrational motion during the excited-state intramolecular proton transfer reaction in o-hydroxyacetophenone Su C, Lin JY, Hsieh RMR, Cheng PY
12002 - 12011	Predissociation and vibrational relaxation in the B state of I-2 in a Kr matrix Guhr M, Bargheer M, Dietrich P, Schwentner NS
12012 - 12023	Hydrogen bond dissociation and reformation in methanol oligomers following hydroxyl stretch relaxation Gaffney KJ, Davis PH, Piletic IR, Levinger NE, Fayer MA
12024 - 12034	Estimation of the vibrational contribution to the entropy change associated with the low- to high-spin transition in Fe(phen)(2)(NCS)(2) complexes: Results obtained by IR and Raman spectroscopy and DFT calculations Brehm G, Reiher M, Schneider S
12035 - 12040	Structure and vibrational modes of the cyanovinyl radical: A study by time-resolved Fourier transform IR emission spectroscopy Letendre L, Dai HL
12041 - 12044	Stimulated Raman scattering of liquid water under the strong focusing condition: Analysis of local hydration network environments in dilute ethanol solutions Yui H, Kanoh K, Fujiwara H, Sawada T
12045 - 12050	Reaction kinetics of NO2 with resorcinol and 2,7-naphthalenediol in the aqueous phase at different pH Gutzwiller L, George C, Rossler E, Ammann M
12051 - 12057	Relative proton affinities from kinetic energy release distributions for dissociation of proton-bound dimers Hache JJ, Laskin J, Futrell JH
12058 - 12063	Rotational isomers of 1-methoxynaphthalene: A combined study by ultraviolet laser spectroscopy in a supersonic jet and a initio theoretical calculation Mahato KK, Das A, Panda AN, Chakraborty T, Sathyamurthy N
12064 - 12066	Ab initio prediction of the equilibrium structure and vibrational-rotational energy levels of fluorofulminate Koput J
12067 - 12071	Equilibrium structure and vibrational-rotational energy levels of the X(2)A' SiOH/HSiO radical system Koput J
12072 - 12083	Activation of methane by neutral transition metal oxides (ScO, NiO, and PdO): A theoretical study Hwang DY, Mebel AM
12084 - 12094	Role of cancellation of errors in ab initio calculations: Structure and energetics of the OH- (H2O) system and electric dipole properties of the subsystems Weck G, Milet A, Moszynski R, Kochanski E
12095 - 12102	A comprehensive computational study of N2H+-X (X = He, Ne, Ar, Kr, Xe, and H-2) complexes Sheng YH, Leszczynski J
12103 - 12109	Double-proton transfer in the formamidine-formamide dimer. Post-Hartree-fock gas-phase and aqueous solution study Podolyan Y, Gorb L, Leszczynski J
12110 - 12116	Structures of diethynyl sulfide and bis(phenylethynyl) sulfide Matzger AJ, Lewis KD, Nathan CE, Peebles SA, Peebles RA, Kuczkowski RL, Stanton JF, Oh JJ
12117 - 12123	Time-dependent density functional theory investigation of the ground and excited states of coumarins 102, 152, 153, and 343 Cave RJ, Castner EW
12124 - 12138	Methyl radical addition to C=S double bonds: Kinetic versus thermodynamic preferences Coote ML, Wood GPF, Radom L
12139 - 12150	Optimal selection of partial charge calculation method for rapid estimation of enthalpies of formation from Hartree-fock total energy Ruzsinszky A, Van Alsenoy C, Csonka GI
12151 - 12160	The electronic structure and stability of the isomers of octamolybdate Bridgeman AJ
12161 - 12169	Structures and Energies of [Co(CO)(n)](m) (m=0, 1+, 1-) and HCo(CO)(n): Density functional studies Huo CF, Li YW, Wu GS, Beller M, Jiao HJ
12170 - 12177	Experimental electron density and electrostatic potential analysis of zinc(aspirinate)(2)(H2O)(2) complex: A 3d(10) metal bonding to a drug ligand Bire ASD, Bouhmaida N, Kremenovic A, Morgant G, Ghermani NE
12178 - 12183	On the addition of (OH)-O-center dot radicals to the ipso positions of alkyl-substituted aromatics: Production of 4-hydroxy-4-methyl-2,5-cyclohexadien-1-one in the radiolytic oxidation of p-cresol Schuler RH, Albarran G, Zajicek J, George MV, Fessenden RW, Carmichael I
12184 - 12184	Absolute and site-specific abstraction rate coefficients for reactions of Cl with CH3CH2OH, CH3CD2OH, and CD3CH2OH between 295 and 600 K Taatjes CA, Christensen LK, Hurley MD, Wallington TJ