Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.101, No.37 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (30 articles)

6821 - 6823	Three-dimensional quantum mechanical treatment of the reaction Ne+H-2(+)->NeH++H Gilibert M, Blasco RM, Gonzalez M, Gimenez X, Aguilar A, Last I, Baer M
6824 - 6826	Mapping electron transfer pathways in a chromophore-quencher triad Treadway JA, Chen PY, Rutherford TJ, Keene FR, Meyer TJ
6827 - 6829	Photosensitive, bubble-free, bromate-1,4-cyclohexanedione oscillating reactions. Illumination control of pattern formation KurinCsorgei K, Zhabotinsky AM, Orban M, Epstein IR
6830 - 6835	Combination of pressure and temperature dependent measurements: A simple access to intrinsic thermal activation energies Rettig W, Fritz R, Braun D
6836 - 6841	Amide derivatives of DMABN: A new class of dual fluorescent compounds Braun D, Rettig W, Delmond S, Letard JF, Lapouyade R
6842 - 6849	High magnetic field and magnetic isotope effects on lifetimes of triplet biradicals consisting of two equivalent benzophenone ketyls linked by methylene chains Fujiwara Y, Aoki T, Haino T, Fukazawa Y, Tanimoto Y, Nakagaki R, Takahira O, Okazaki M
6850 - 6854	Photoinduced generation of long-lived proton transfer states: Photoinduced proton transfer from 2-(2',4'-dinitrobenzyl)pyridine to a proton cage, the [2.1.1] cryptand Kuldova K, Corval A, Trommsdorff HP, Lehn JM
6855 - 6863	Generation and decay of aryl sulfinyl and sulfenyl radicals: A transient absorption and computational study Darmanyan AP, Gregory DD, Guo YS, Jenks WS
6864 - 6869	Dielectric properties of aqueous NaCl solutions at microwave frequencies Nortemann K, Hilland J, Kaatze U
6870 - 6875	Vibrational state-resolved study of the O-+D-2 reaction: Direct dynamics from 0.47 to 1.20 eV Carpenter MA, Farrar JM
6876 - 6882	Optical and thermal electron transfer activation of dioxygen by viologen dithiolene metalates Ammon U, Chiorboli C, Dumler W, Grampp G, Scandola F, Kisch H
6883 - 6889	Model-independent estimation of the photokinetic transfer matrix from matrix-formatted frequency-domain fluorescence Neal SL
6890 - 6896	Model-independent analysis of pyrene photokinetics in SDS micelles Villegas MM, Neal SL
6897 - 6902	Ab initio ionization and excitation spectra involving IO(X-2 Pi) and IO+(X-3 Sigma(-), a(1)Delta, b(1)Sigma(+)) Hassanzadeh P, Irikura KK, Johnson RD
6903 - 6910	Optimization of two-dimensional multiple-quantum MAS NMR experiments for I = 3/2 nuclei on a moderate-field spectrometer Hanaya M, Harris RK
6911 - 6921	Molecular modeling of combustion kinetics. The abstraction of primary and secondary hydrogens by hydroxyl radical Hu WP, Rossi I, Corchado JC, Truhlar DG
6922 - 6930	Crossed molecular beam study of the reaction Br+O-3 Zhang JS, Miau TT, Lee YT
6931 - 6935	Excited singlet-state yields in hydrocarbon liquids exposed to X-rays Holroyd RA, Preses JM, Hanson JC
6936 - 6944	Generalized molecular orbital theory .2. Couty M, Hall MB
6945 - 6950	Substituents effect on the electronic properties of aniline and oligoanilines Vaschetto ME, Retamal BA
6951 - 6954	Acidity of zeolites and silanols: Study of the influence of size and softness of the global system on the electronegativity-softness competition in halogenated model systems Damoun S, Langenaeker W, Geerlings P
6955 - 6963	(X)over-tilde(1)A(1), (a)over-tilde(3)B(1), (A)over-tilde(1)B(1), and (B)over-tilde(1)A(1) electronic states of PH2+ VanHuis TJ, Yamaguchi Y, Sherrill CD, Schaefer HF
6964 - 6969	Theoretical prediction of vibrational spectrum of N-glycylglycine hydrochloride: An ab initio study Chakraborty D, Manogaran S
6970 - 6975	Generation of nitrile N-sulfide (RCNS) radical cations and neutrals via ion-molecule reactions: Tandem mass spectrometry and ab initio MO study Gerbaux P, VanHaverbeke Y, Flammang R, Wong MW, Wentrup C
6976 - 6982	Numerical determination of the topological properties of the electronic charge density in molecules and solids using density functional theory Aray Y, Rodriguez J, Rivero J
6983 - 6990	Asymmetrically distorted structure, selective bond length alternation, and reactions of radical cations of silacyclohexanes: An ESR and ab-initio MO study Komaguchi K, Shiotani M
6991 - 6997	Simplified models for hardness kernel and calculations of global hardness Liu SB, DeProft F, Parr RG
6998 - 7006	AM1 study of the ground and excited state potential energy surfaces of symmetric carbocyanines Rodriguez J, Scherlis D, Estrin D, Aramendia PF, Negri RM
7007 - 7017	Cation-ether complexes in the gas phase: Bond dissociation energies of M+(dimethyl ether)(x), x = 1-3, M+(1,2-dimethoxyethane)(x), x = 1 and 2, and M+(12-crown-4) where M = Rb and Cs More MB, Ray D, Armentrout PB
7018 - 7018	Theoretical studies on the gas-phase nucleophilic ring opening of 3,4-epimino-, 3,4-epoxy-, and 3,4-epithio-1-butene (vol 101A, pg 2896, 1997) Lee JK, Kim CK, Lee BS, Lee I