Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.9 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (20 articles)

1567 - 1574	The photochemical rearrangement pathways of imidazoles: A theoretical study Su MD
1575 - 1584	Application of global kinetic models to HMX beta-delta transition and cookoff processes Wemhoff AP, Burnham AK, Nichols AL
1585 - 1592	Dissociation of 1,1,1-trifluoroethane behind reflected shock waves: Shock tube/time-of-flight mass spectrometry experiments Giri BR, Tranter RS
1593 - 1597	Characterization of photoinduced isomerization and intersystem crossing of the cyanine dye Cy3 Jia K, Wan Y, Xia AD, Li SY, Gong FB, Yang GQ
1598 - 1609	Structural, photophysical, and nonlinear absorption properties of trans-Di-arylalkynyl platinum(II) complexes with phenyl and thiophenyl groups Lind P, Bostrom D, Carlsson M, Eriksson A, Glimsdal E, Lindgren M, Eliasson B
1610 - 1617	Rate constants for the reactions of hydroxyl radical with several fluoroethers by the relative rate method Wilson EW, Hamilton WA, Mount HR, DeMore WB
1618 - 1631	Structure-activity relationship for the addition of OH to (poly)alkenes: Site-specific and total rate constants Peeters J, Boullart W, Pultau V, Vandenberk S, Vereecken L
1632 - 1637	OH, HO2, and ozone gaseous diffusion coefficients Ivanov AV, Trakhtenberg S, Bertram AK, Gershenzon YM, Molina MJ
1638 - 1647	Investigating the relationship between infrared spectra of shared protons in different chemical environments: A comparison of protonated diglyme and protonated water dimer Lammers S, Meuwly M
1648 - 1658	On the chemical bonding of gold in auro-boron oxide clusters AunBO-(n=1-3) Zubarev DY, Boldyrev AI, Li J, Zhai HJ, Wang LS
1659 - 1666	On the keto-enol tautomerization of malonaldehyde: An effective fragment potential study Freitag MA, Pruden TL, Moody DR, Parker JT, Fallet M
1667 - 1676	Calculations of the optical spectra of hydrocarbon radical cations based on Koopmans' theorem Nelsen SF, Weaver MN, Yamazaki D, Komatsu K, Rathore R, Bally T
1677 - 1682	Influence of silicon defects on the adsorption of thiophene-like compounds on polycyclic aromatic hydrocarbons: A theoretical study using thiophene plus coronene as the simplest model Galano A
1683 - 1687	Inversed stability order in Keggin polyoxothiometalate isomers: A DFT study of 12-electron reduced alpha, beta, gamma, delta, and epsilon [(MoO4)Mo12O12S12(OH)(12)](2-) anions Zhang FQ, Zhang XM, Wu HS, Li YW, Jiao HJ
1688 - 1694	Insights into the strength and origin of halogen bonding: The halobenzene-formaldehyde dimer Riley KE, Merz KM
1695 - 1704	New insight into the gas-phase bimolecular self-reaction of the HOO radical Anglada JM, Olivella S, Sole A
1705 - 1712	Computational study about through-bond and through-space interactions in [2.2]cyclophanes Caramori GF, Galembeck SE
1713 - 1720	Energetics of C-F, C-Cl, C-Br, and C-I bonds in 2-haloethanols. Enthalpies of formation of XCH2CH2OH (X = F, Cl, Br, I) compounds and of the 2-hydroxyethyl radical Bernardes CES, da Piedade MEM, Amaral LMPF, Ferreira AIMCL, da Silva MAVR, Diogo HP, Cabral BJC
1721 - 1725	Ab initio equation of state of an organic molecular crystal: 1,1-Diamino-2,2-dinitroethylene Zerilli FJ, Kuklja MM
1726 - 1736	Heats of formation of diphosphene, phosphinophosphinidene, diphosphine, and their methyl derivatives, and mechanism of the borane-assisted hydrogen release Matus MH, Nguyen MT, Dixon DA