Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.106, No.47 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (32 articles)

11415 - 11421	Photodissociation of acetaldehyde, CH3CHO -> CH4+CO: Direct a initio dynamics study Kurosaki Y, Yokoyama K
11422 - 11430	Water-induced quenching of salicylic anion fluorescence Joshi HC, Gooijer C, van der Zwan G
11431 - 11439	Photoinduced electron transfer in squaraine dyes: Sensitization of large band gap semiconductors Paterson MJ, Blancafort L, Wilsey S, Robb MA
11440 - 11445	Interactions between molecular hydrogen and alkali halide ion-pairs in neon matrices Sweany RL, Vuong L, Bishara J
11446 - 11455	Density functional analysis of anharmonic contributions to adenine matrix isolation spectra Lappi SE, Collier W, Franzen S
11456 - 11464	Ammonia activation by early transition metal atoms (Sc, Ti, and V). Matrix isolation infrared spectroscopic and density functional theory studies Chen MH, Lu H, Dong J, Miao L, Zhou MF
11465 - 11469	Dehydrogenation of simple hydrocarbons on platinum cluster ions Hanmura T, Ichihashi M, Kondow T
11470 - 11480	One- and two-photon spectroscopy of donor-acceptor-donor distyrylbenzene derivatives: Effect of cyano substitution and distortion from planarity Pond SJK, Rumi M, Levin MD, Parker TC, Beljonne D, Day MW, Bredas JL, Marder SR, Perry JW
11481 - 11487	Structural and conformational properties of 2-propenylphosphine (allylphosphine) as studied by microwave spectroscopy supplemented by quantum chemical calculations Mollendal H, Demaison J, Guillemin JC
11488 - 11491	Temperature dependence of the acid dissociation constant of the hydroxyl radical Poskrebyshev GA, Neta P, Huie RE
11492 - 11501	Formation and atmospheric reactions of 4,5-dihydro-2-methylfuran Martin P, Tuazon EC, Aschmann SM, Arey J, Atkinson R
11502 - 11517	Thermochemical properties for small halogenated molecules calculated by the infinite basis extrapolation method Lazarou YG, Papadimitriou VC, Prosmitis AV, Papagiannakopoulos P
11518 - 11525	Hydrogen bonding of phenols or their radical cations with water or ammonia: Substituent effects and the influence on phenol oxidation Feng Y, Liu L, Fang Y, Guo QX
11526 - 11532	Theoretical study on the aromaticity of benzenes annelated to small rings Sakai S
11533 - 11539	The bonding nature of some simple sigmatropic transition states from the topological analysis of the electron localization function Chamorro E, Santos JC, Gomez B, Contreras R, Fuentealba P
11540 - 11549	Stacked structure of the glycine dimer is more stable than the cyclic planar geometry with two O-H center dot center dot center dot O hydrogen bonds: Concerted action of empirical, high-level nonempirical ab initio, and experimental studies Chocholousova J, Vacek J, Huisken F, Werhahn O, Hobza P
11550 - 11557	A quantitative structure-property relationship analysis of logP for disubstituted benzenes Zou JW, Zhao WN, Shang ZC, Huang ML, Guo M, Yu QS
11558 - 11564	The gas-phase reaction of silylene with acetaldehyde. 2. Theoretical calculations of isotope effects for SiH2 versus SiD2 addition Becerra R, Cannady JP, Walsh R
11565 - 11569	Activities of alpha-COOH vs gamma-COOH in N-phosphoryl amino acids: A theoretical study Chen ZZ, Li YM, Ma J, Tan B, Inagaki S, Zhao YF
11570 - 11580	Reactions of 2-propanol with Cu+ in the gas phase: A density functional theory study Cheng MJ, Hu CH, Yeh CS
11581 - 11593	One-electron reduction of substituted chlorinated methanes as determined from ab initio electronic structure theory Bylaska EJ, Dixon DA, Felmy AR, Tratnyek PG
11594 - 11602	Theoretical study of complexes of closo-borane, alane, and gallane anions with cations of light metals inside and outside of Icosahedral clusters [A(12)H(12)(2-)] (A = B, Al, and Ga) Charkin OP, Klimenko NM, Moran D, Mebel AM, Charkin DO, Schleyer PVR
11603 - 11615	Computational study of the reactions of H atoms with chlorinated alkanes. Isodesmic reactions for transition states Knyazev VD
11616 - 11622	Comparative study of identity proton-transfer reactions between simple atoms or groups by VB methods Wu W, Shaik S, Saunders WH
11623 - 11629	Unimolecular dissociation of formyl halides HXCO -> CO+HX (X = F, Cl): An ab initio direct classical trajectory study Anand S, Schlegel HB
11630 - 11636	Energetics of concerted two-electron transfer and metal-metal bond cleavage in phosphido-bridged molybdenum and tungsten carbonyl complexes Uhrhammer D, Schultz FA
11637 - 11643	Density functional theory study of alkali metal-noble metal diatomic molecules Tong GSM, Cheung ASC
11644 - 11652	Effect of the silyl substitution on structure and vibrational spectra of hydrogen-bonded networks in dimers, cyclic trimers, and tetramers Ignatyev IS, Partal F, Gonzalez JJL
11653 - 11662	Isomers of protonated octane, C8H19+ Seitz C, East ALL
11663 - 11671	C-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonding in formic acid dimer structures: A QM/MM study confirms the common origin of their different spectroscopic behavior Qian WL, Krimm S
11672 - 11675	Bridged and open carbocation structures as a function of the correlation level in ab initio calculations: The 4-methyl-2-pentyl cation Farcasiu D, Lukinskas P, Pamidighantam SV
11676 - 11682	Chemical wave packet propagation, reflection, and spreading Yang LF, Epstein IR