Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.114, No.24 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (22 articles)

6559 - 6564	DFT/TD-DFT Study on the Electronic Structures and Optoelectronic Properties of Several Blue-Emitting Iridium(III) Complexes Shi LL, Hong B, Guan W, Wu ZJ, Su ZM
6565 - 6568	Quenching of OH(A(2)Sigma(+)) by H-2 through Conical Intersections: Highly Excited Products in Nonreactive Channel Zhang PY, Lu RF, Chu TS, Han KL
6569 - 6574	Vibrational Spectroscopy and Dynamics of the Hydrazoic and Isothiocyanic Acids in Water and Methanol Houchins C, Weidinger D, Owrutsky JC
6575 - 6585	Are Reactions Between Metal Cyanides and Aryl Diazonium Ions Really Outer-Sphere Electron Transfer Processes? Klaning U, Lund T, Lund H, Pedersen SU, Daasbjerg K
6586 - 6593	Excited Cl(P-2(1/2)) Atoms: Yield from the Photodissociation of SOCl2 and Collisional Deactivation by NO2, CCl3H, C2H4, C3H6, and SOCl2 Rakhymzhan A, Chichinin A
6594 - 6607	Detailed Modeling of Low-Temperature Propane Oxidation: 1. The Role of the Propyl + O-2 Reaction Huynh LK, Carstensen HH, Dean AM
6608 - 6612	Microwave and Quantum Chemical Study of Allyldifluorosilane (H2C=CHCH2SiF2H) Mollendal H, Samdal S, Guirgis GA, Wurrey CJ
6613 - 6621	Degradation of Atrazine by Electrochemical Advanced Oxidation Processes Using a Boron-Doped Diamond Anode Borras N, Oliver R, Arias C, Brillas E
6622 - 6629	Solid-State NMR Spectra and Long, Intra-Dimer Bonding in the pi-[TTF](2)(2+) (TTF = Tetrathiafulvalene) Dication Halling MD, Bell JD, Pugmire RJ, Grant DM, Miller JS
6630 - 6640	Electronic Structure and Proton Transfer in Ground-State Hexafluoroacetylacetone Chatterjee C, Incarvito CD, Burns LA, Vaccaro PH
6641 - 6647	Exchange Interactions in Systems with Multiple Magnetic Sites Paul S, Misra A
6648 - 6656	Very Strongly Ferromagnetically Coupled Diradicals from Mixed Radical Centers. II. Nitronyl Nitroxide Coupled to Tetrathiafulvalene via Spacers Latif IA, Singh VP, Bhattacharjee U, Panda A, Datta SN
6657 - 6668	Theoretical Study of the LiCs Molecule: Adiabatic and Diabatic Potential Energy and Dipole Moment Mabrouk N, Berriche H, Ben Ouada H, Gadea FX
6669 - 6680	Ab-Initio-Based Global Double Many-Body Expansion Potential Energy Surface for the Electronic Ground State of the Ammonia Molecule Li YQ, Varandas AJC
6681 - 6688	Bonding Analysis of the [C2O4](2+) Intermediate Formed in the Reaction of CO22+ with Neutral CO2 Feixas F, Ponec R, Fiser J, Roithova J, Schroder D, Price SD
6689 - 6700	Interpretation of Indirect Nuclear Spin-Spin Couplings in Isomers of Adenine: Novel Approach to Analyze Coupling Electron Deformation Density Using Localized Molecular Orbitals Marek R, Kristkova A, Malinakova K, Tousek J, Marek J, Hocek M, Malkina OL, Malkin VG
6701 - 6704	Unusually Large Coupling Constants in Diradicals Obtained from Excitation of Mixed Radical Centers: A Theoretical Study on Potential Photomagnets Bhattacharjee U, Panda A, Latif IA, Datta SN
6705 - 6712	How Strained are Carbomeric-Cycloalkanes? Wodrich MD, Gonthier JF, Steinmann SN, Corminboeuf C
6713 - 6720	Structure of the Room-Temperature Ionic Liquid 1-Hexyl-3-methylimidazolium Hydrogen Sulfate: Conformational Isomerism Kiefer J, Pye CC
6721 - 6727	Multilevel Extension of the Cluster-in-Molecule Local Correlation Methodology: Merging Coupled-Cluster and Moller-Plesset Perturbation Theories Li W, Piecuch P
6728 - 6728	Comment on "Enthalpy Difference between Conformations of Normal Alkanes: Raman Spectroscopy Study of n-Pentane and n-Butane" Tasi G, Nagy B
6729 - 6730	Reply to "Comment on'Enthalpy Difference between Conformations of Normal Alkanes: Raman Spectroscopy Study of n-Pentane and n-Butane'" Balabin RM