Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.107, No.46 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (33 articles)

9737 - 9739	Ultrafast reaction between LiH and NH3 during H-2 storage in Li3N Hu YH, Ruckenstein E
9740 - 9746	Photophysics of 3-substituted benzanthrones: Substituent and solvent control of intersystem crossing Kapusta P, Machalicky O, Hrdina R, Nepras M, Zimmt MB, Fidler V
9747 - 9753	Photoinduced electron-transfer processes of tetrathiafulvalene-(spacer)-(naphthalenediimide)-(spacer)-tertrathiafulvalene triads in solution Guo XF, Gan ZH, Luo HX, Araki Y, Zhang DQ, Zhu DB, Ito O
9754 - 9761	Pumping rate and surface morphology dependence of ionization processes in matrix-assisted laser desorption ionization Chen Y, Vertes A
9762 - 9775	Search for low energy structures of water clusters (H2O)(n), n=20-22, 48, 123, and 293 Kazimirski JK, Buch V
9776 - 9781	Transition state theory for multichannel addition reactions: Multifaceted dividing surfaces Georgievskii Y, Klippenstein SJ
9782 - 9793	Thermal decomposition of 2-fluoroethanol: Single pulse shock tube and ab initio studies Rajakumar B, Reddy KPJ, Arunan E
9794 - 9799	Pulse radiolysis study of the reactions of hydrogen atoms in the ionic liquid methyltributylammonium bis[(trifluoromethyl)sulfonyl]imide Grodkowski J, Neta P, Wishart JF
9800 - 9811	Experimental thermodynamics of cluster ions composed of H2SO4 and H2O. 1. Positive ions Froyd KD, Lovejoy ER
9812 - 9824	Experimental thermodynamics of cluster ions composed of H2SO4 and H2O. 2. Measurements and a initio structures of negative ions Froyd KD, Lovejoy ER
9825 - 9833	Theoretical study of the C-2((1)Sigma(+)(g),(3)Pi(u))+H2O reaction mechanism Wang JH, Han KL, He GZ, Li ZJ, Morris VR
9834 - 9845	Oxyhalogen-sulfur chemistry: Oxidation of N-acetylcysteine by chlorite and acidic bromate Darkwa J, Olojo R, Olagunju O, Otoikhian A, Simoyi R
9846 - 9859	Mechanisms of oscillatory reactions deduced from bifurcation diagrams Schreiber I, Ross J
9860 - 9864	Direct observation of NADH radical cation generated in reactions with one-electron oxidants Zielonka J, Marcinek A, Adamus J, Gebicki J
9865 - 9874	Gas phase reactivity of Ni+ with urea. Mass spectrometry and theoretical studies Rodriguez-Santiago L, Noguera M, Sodupe M, Salpin JY, Tortajada J
9875 - 9886	Structural identification of local maxima in low-resolution promolecular electron density distributions Leherte L, Dury L, Vercauteren DP
9887 - 9897	Tensor contraction engine: Abstraction and automated parallel implementation of configuration-interaction, coupled-cluster, and many-body perturbation theories Hirata S
9898 - 9902	Use of periodic boundary conditions to calculate accurate beta-sheet frequencies using density functional theory Franzen S
9903 - 9909	Structure and properties of the [Ru(bpy)(CN)(4)](2-) complex and its solvent environment: X-ray diffraction and density functional study Megyes T, Schubert G, Kovacs M, Radnai T, Grosz T, Bako I, Papai I, Horvaith A
9910 - 9917	Correlation of an alcohol's alpha C-D stretch with hydrogen bond strength in complexes with amines Maiti NC, Carey PR, Anderson VE
9918 - 9923	Clusters of group II-VI materials: CdiOi (i <= 15) Matxain JM, Mercero JM, Fowler JE, Ugalde JM
9924 - 9930	N-14,N-15 NMR shielding constants from density functional theory Fadda E, Casida ME, Salahub DR
9931 - 9936	Ab initio study of the oxidation reaction of CO by ClO radicals Louis F, Gonzalez CA, Sawerysyn JP
9937 - 9945	Adiabatic population transfer with control fields Demirplak M, Rice SA
9946 - 9952	An assessment of theoretical methods for the calculation of accurate structures and S-N bond dissociation energies of S-nitrosothiols (RSNOs) Baciu C, Gauld JW
9953 - 9963	Density functional theory based model calculations for accurate bond dissociation enthalpies. 3. A single approach for X-H, X-X, and X-Y (X, Y=C, N, O, S, halogen) bonds Johnson ER, Clarkin OJ, DiLabio GA
9964 - 9973	Predicting C-13 NMR spectra by DFT calculations Bagno A, Rastrelli F, Saielli G
9974 - 9983	Gas-phase reactions between diborane and carbon monoxide: A theoretical study Hu SW, Wang Y, Wang XY, Chu TW, Liu XQ
9984 - 9990	Reactivity of [1,2-benzisotellurazol-3(2H)-one] with-peroxynitrous acid: Comparison with ebselen analogues Musaev DG, Hirao K
9991 - 9996	Accurate calculations of bond dissociation enthalpies with density functional methods Yao XQ, Hou XJ, Jiao HJ, Xiang HW, Li YW
9997 - 10003	Density-functional theory calculations of aqueous redox potentials of fourth-period transition metals Uudsemaa M, Tamm T
10004 - 10010	Stability and arornaticity of BiNi rings and fullerenes Matxain JM, Ugalde JM, Towler MD, Needs RJ
10011 - 10018	Importance of electronic delocalization on the C-N bond rotation in HCX(NH2) (X = O, NH, CH2, S, and Se) Mo YR, Schleyer PV, Wu W, Lin MH, Zhang Q, Gao JL