Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.9 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (37 articles)

1753 - 1757 Investigating the effect of the zwitterion/lactone equilibrium of rhodamine B on the cybotactic region of the acetonitrile/scCO(2) cosolvent
Gahlmann A, Kester KD, Mayer SG
1758 - 1763 Intramolecular NH/pi complexes of 2-allylaniline derivatives in the ground and excited states
Leo EA, Tormos R, Monti S, Domingo LR, Miranda MA
1764 - 1769 Effect of water, methanol, and acetonitrile on solvent relaxation and rotational relaxation of coumarin 153 in neat 1-hexyl-3-methylimidazolium hexafluorophosphate
Chakrabarty D, Chakraborty A, Seth D, Sarkar N
1770 - 1775 Dissociation of sulfur dioxide by ultraviolet multiphoton absorption between 224 and 232 nm
Dixit AA, Lei YX, Lee KW, Quinones E, Houston PL
1776 - 1784 Triplet photophysics of gold(III) porphyrins
Eng MP, Ljungdahl T, Andreasson J, Martensson J, Albinsson B
1785 - 1794 Hydrogen-bonded complexes of lumichrome
Sikorska E, Khmelinskii IV, Kubicki M, Prukala W, Nowacka G, Siemiarczuk A, Koput J, Ferreira LFV, Sikorski M
1795 - 1801 Solvent adiabaticity effects on ultrafast electron transfer in viologen charge transfer complexes
Moran AM, Aravindan P, Spears KG
1802 - 1809 Dissociative photoionization and thermochemistry of dihalomethane compounds studied by threshold photoelectron photoion coincidence spectroscopy
Lago AF, Kercher JP, Bodi A, Sztaray B, Miller B, Wurzelmann D, Baer T
1810 - 1814 Effect of OH internal torsion on the OH-stretching spectrum of cis,cis-HOONO
Schofield DP, Kjaergaard HG
1815 - 1820 Probing the electronic structure of [2Fe-2S] clusters with three coordinate iron sites by use of photoelectron spectroscopy
Fu YJ, Yang X, Wang XB, Wang LS
1821 - 1827 Theoretical calculation of structures and proton transfer in hydrated ammonia-hydrogen chloride clusters
Asada T, Takitani S, Koseki S
1828 - 1835 Excitation, ionization, and fragmentation of chiral molecules in asymmetric microenvironments: A mass-resolved R2PI spectroscopic study
Piccirillo S, Rondino F, Catone D, Guidoni AG, Paladini A, Tacconi M, Satta M, Speranza M
1836 - 1842 Theoretical study of O-2-H2O: Potential energy surface, molecular vibrations, and equilibrium constant at atmospheric temperatures
Sabu A, Kondo S, Saito R, Kasai Y, Hashimoto K
1843 - 1848 Reaction of hydrogen atoms with hydroxide ions in high-temperature and high-pressure water
Marin TW, Jonah CD, Bartels DM
1849 - 1856 Atmospheric chemistry of 4 : 2 fluorotelomer alcohol (n-C4F9CH2CH2OH): Products and mechanism of Cl atom initiated oxidation in the presence of NOx
Andersen MPS, Nielsen OJ, Hurley MD, Ball JC, Wallington TJ, Ellis DA, Martin JW, Mabury SA
1857 - 1863 Reflected shock tube studies of high-temperature rate constants for OH+CH4 -> CH3+H2O and CH3+NO2 -> CH3O+NO
Srinivasan NK, Su MC, Sutherland JW, Michael JV
1864 - 1872 Temperature dependence of the mass accommodation coefficients of 2-nitrophenol, 2-methylphenol, 3-methylphenol, and 4-methylphenol on aqueous surfaces
Leyssens G, Louis F, Sawerysyn JP
1873 - 1878 Modeling chlorite-iodide reaction dynamics using a chlorine dioxide-iodide reaction mechanism
Jowza M, Sattar S, Olsen RJ
1879 - 1889 Kinetics and mechanistic studies of the atmospheric oxidation of alkynes
Yeung LY, Pennino MJ, Miller AM, Elrod MJ
1890 - 1896 Ab initio and direct dynamics studies of the reaction of singlet methylene with acetylene and the lifetime of the cyclopropene complex
Yu HG, Muckerman JT
1897 - 1902 Molecular structure and conformational composition of 2-chloro-1-phenylethanone, ClH2C-C(=O)Ph, obtained using gas-phase electron-diffraction data and results from theoretical calculations
Aarset K, Hagen K
1903 - 1910 Structures of cationized proline analogues: Evidence for the Zwitterionic form
Lemoff AS, Bush MF, Williams ER
1911 - 1919 Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide-formic acid
Nygren CL, Wilson CC, Turner JFC
1920 - 1925 Control of local ionization and charge transfer in the bifunctional molecule 2-phenylethyl-N,N-dimethylamine using Rydberg fingerprint spectroscopy
Cheng W, Kuthirummal N, Gosselin JL, Solling TI, Weinkauf R, Weber PM
1926 - 1932 Anion-tri-s-triazine bonding: A case for anion recognition
Zheng WX, Wong NB, Tian A
1933 - 1943 Environmental effects on the spectroscopic properties of gallic acid: A combined classical and quantum mechanical study
Cappelli C, Mennucci B, Monti S
1944 - 1951 Relative stability of mixed [3+1] Tc and Re complexes: a computational and conceptual DFT study
Safi B, Mertens J, De Proft F, Alberto R, Geerlings P
1952 - 1960 Determination of the chelating site preferentially involved in the complex of lead(II) with caffeic acid: A spectroscopic and structural study
Boilet L, Cornard JP, Lapouge C
1961 - 1973 Characterization of the oxidation products of styryl-substituted terthiophenes and sexithiophenes using electronic absorption spectroscopy and time-dependent DFT
Clarke TM, Gordon KC, Officer DL, Grant DK
1974 - 1980 Reaction paths of tautomerization between hydroxypyridines and pyridones
Tsuchida N, Yamabe S
1981 - 1988 Oxo-hydroxy tautomerism of 5-fluorouracil: Water-assisted proton transfer
Markova N, Enchev V, Timtcheva I
1989 - 1997 Refinement of borate structures from B-11 MAS NMR spectroscopy and density functional theory calculations of B-11 electric field gradients
Hansen MR, Madsen GKH, Jakobsen HJ, Skibsted J
1998 - 2005 Orientational ordering of a bent-core mesogen by two-dimensional C-13 NMR spectroscopy
Xu J, Fodor-Csorba K, Dong RY
2006 - 2011 Linear free-energy relationships and the density functional theory: An analog of the Hammett equation
Simon-Manso Y
2012 - 2018 Benchmark database of barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions and its use to test theoretical methods
Zhao Y, Gonzalez-Garcia N, Truhlar DG
2019 - 2025 Oxidation of CO by SO2: A theoretical study
Bacskay GB, Mackie JC
2026 - 2034 Effect of substituents on the strength of A-Cl- (A = Si, Ge, and Sn) bonds in hypervalent systems: ACl(5)(-), ACl(4)F(-), and A(CH3)(3)Cl-2(-)
Hao CT, Kaspar JD, Check CE, Lobring KC, Gilbert TM, Sunderlin LS