Journal of Physical Chemistry, 1998, V 102, N 52, Dec 24.


  Direct determination of NMR correlation times: Analysis of the Cd-CyDTA
  complex by the relaxation rate ratio method. 
  Dixon AM; Larive CK; Nantsis EA; Carper WR.
  pp 10573-10578
   
  Transition metal ion induced fluorescence enhancement of
  4-(N,N-dimethylethylenediamino)-7-nitrobenz-2-oxa-1,3-diazole.   
  Ramachandram B; Samanta A.
  pp 10579-10587
   
  Ultrafast polyene dynamics in solution: The conformational relaxation and
  thermalization of highly excited cis-1,3,5-hexatriene as a function of
  initial conformation and solvent. 
  Anderson NA; Pullen SH; Walker LA; Shiang JJ; Sension RJ.
  pp 10588-10598
   
  Calculations of X-ray emission spectra of molecules and surface adsorbates
  by means of density functional theory. 
  Triguero L; Pettersson LGM; Agren H.
  pp 10599-10607
   
  Ionization of aniline in nonpolar hydrocarbon solvents as studied by
  two-photon ionization spectra. 
  Ogawa T; Nakashima K.
  pp 10608-10613
   
  Pressure dependent vibrational Fermi resonance in liquid CH3OH and CH2Cl2.
  Devendorf GS; Hu MHA; Ben-Amotz D.
  pp 10614-10619
   
  Lifetime measurements of the collision-free slow fluorescence from glyoxal
  S1T1 gateway levels in a beam. 
  Gorling C; Jalviste E; Ohta N; Ottinger C.
  pp 10620-10629
   
  Aromatic-rare gas complexes: The microwave spectrum and structure of the
  fluorobenzene-neon dimer. 
  Wilson RJ; Peebles SA; Antolinez S; Sanz ME; Kuczkowski RL.
  pp 10630-10635
   
  Complex kinetics of desorption and diffusion. Field reversal study of K
  excited-state desorption from graphite layer surfaces.   
  Holmlid L.
  pp 10636-10646
   
  Chemical bonding in XeF2, XeF4, KrF2, KrF4, RnF2, XeCl2, and XeBr2: From
  the gas phase to the solid state. 
  Liao MS; Zhang QE.
  pp 10647-10654
   
  Thermal decomposition of 2,5-dimethylfuran. Experimental results and
  computer modeling. 
  Lifshitz A; Tamburu C; Shashua R.
  pp 10655-10670
   
  Kinetics and mechanism of the gas-phase reaction of Cl atoms with benzene.
  Sokolov O; Hurley MD; Wallington TJ; Kaiser EW; Platz J; Nielsen OJ; Berho
  F; Rayez MT; Lesclaux R.
  pp 10671-10681
   
  Rate constants and thermodynamic parameters of rotation of axial ligands
  in a bisligated ferric tetramesitylporphyrinate complex measured from the
  temperature dependence of H-1 transverse relaxation rates.   
  Momot KI; Walker FA.
  pp 10682-10688
   
  Reactive uptake of ClNO2 on aqueous bromide solutions.   
  Fickert S; Helleis F; Adams JW; Moortgat GK; Crowley JN.
  pp 10689-10696
   
  Energy disposal in the photodissociation of Co(CO)(3)NO near 225 nm.
  Bartz JA; Friday TO; Goodman BR; Kooi SE; Blair RG; Polik WF.
  pp 10697-10702
   
  High-pressure study on the quenching mechanism by oxygen of the lowest
  triplet state in solution. 
  Okamoto M; Tanaka F; Hirayama S.
  pp 10703-10709
   
  Ab initio study of cyclobutadieno-p-benzoquinones: Kekule isomerization or
  not?. 
  Maksic ZB; Petanjek I; Eckert-Maksic M; Novak I.
  pp 10710-10714
   
  Reaction-path and dual-level dynamics calculations of the CH3F+OH
  reaction. 
  Espinosa-Garcia J; Coitino EL; Gonzalez-Lafont A; Lluch JM.
  pp 10715-10722
   
  Kinetics and mechanism of benzene derivative degradation with Fenton's
  reagent in aqueous medium studied by MIMS. 
  Augusti R; Dias AO; Rocha LL; Lago RM.
  pp 10723-10727
   
  Self-consistent reaction field calculations of nonequilibrium solvent
  effects on proton transfer processes through low-barrier hydrogen bonds.
  Ruiz-Lopez MF; Oliva A; Tunon I; Bertran J.
  pp 10728-10735
   
  Ground-state tautomerism and excited-state proton-transfer processes in
  4,5-dimethyl-2-(2 '-hydroxyphenyl)imidazole in solution: Fluorescence
  spectroscopy and quantum mechanical calculations. 
  Brauer M; Mosquera M; Perez-Lustres JL; Rodriguez-Prieto F.
  pp 10736-10745
   
  Gas-phase chemistry of curium: Reactions of Cm+ and CmO+ with alkenes,
  acetonitrile, and hexafluoropropene. 
  Gibson JK; Haire RG.
  pp 10746-10753
   
  Reactions of CO and CO2 with gas-phase Mo+, MoO+, and MoO2+.   
  Sievers MR; Armentrout PB.
  pp 10754-10762
   
  Electronic structure and thermodynamic properties of the molecule GeC from
  all-electron ab initio calculations and Knudsen effusion mass
  spectrometric measurements. 
  Shim I; Baba MS; Gingerich KA.
  pp 10763-10767
   
  Oxygen-bound fluorine (O-F): Ab initio investigations of the hypofluorous
  acid dimer. 
  Berski S; Lundell J; Latajka Z; Leszczynski J.
  pp 10768-10776
   
  Ab initio studies of the isomerization and decomposition reactions of the
  1-butoxy radical. 
  Lendvay G; Viskolcz B.
  pp 10777-10786
   
  Heat of formation of the tert-butyl radical. 
  Smith BJ; Radom L.
  pp 10787-10790
   
  Ab initio study of the effect of solvation on the electronic spectra of
  formamide and N-methylacetamide. 
  Besley NA; Hirst JD.
  pp 10791-10797
   
  Theoretical analysis of the unimolecular gas-phase decompositions of the
  propane molecular ion. 
  McAdoo DJ; Olivella S; Sole A.
  pp 10798-10804
   
  Unimolecular decomposition of formaldehyde: H2CO -> H-2+CO. Part I: Ab
  initio reaction path and variational transition state rate constants.
  Martins LMMD; Arbilla G; da Silva EC.
  pp 10805-10812
   
  A CCSD(T) study of the relative stabilities of cytosine tautomers.
  Kobayashi R.
  pp 10813-10817
   
  A new intermolecular polarizable potential for a formaldehyde dimer.
  Application to liquid simulations. 
  Hermida-Ramon JM; Rios MA.
  pp 10818-10827
   
  Theoretical study on the molecular distortions in [2.2]paracyclophane and
  cyclobutane. 
  Henseler D; Hohlneicher G.
  pp 10828-10833
   
  Three-center systems for energy pooling: Quantum electrodynamical theory.
  Jenkins RD; Andrews DL.
  pp 10834-10842
   
  Two-state model of antiaromaticity: The low lying singlet states.
  Zilberg S; Haas Y.
  pp 10843-10850
   
  Two-state model of antiaromaticity: The triplet state. Is Hund's rule
  violated?. 
  Zilberg S; Haas Y.
  pp 10851-10859
   
  Quantum chemical calculations on alpha-substituted ethyl cations: A
  comparison between B3LYP and post-HF methods. 
  van Alem K; Sudholter EJR; Zuilhof H.
  pp 10860-10868
   
  UV and photoelectron spectrum of carbonyl fluoride, F2CO. Multireference
  configuration interaction studies in C-2 nu symmetry. 
  Grein F.
  pp 10869-10879
   
  Isomerization of pyrrole. Quantum chemical calculations and kinetic
  modeling. 
  Dubnikova F; Lifshitz A.
  pp 10880-10888
   
  Simultaneous adjustment of experimentally based enthalpies of formation of
  CF3X, X = nil, H, Cl, Br, I, CF3, CN, and a probe of G3 theory.   
  Ruscic B; Michael JV; Redfern PC; Curtiss LA; Raghavachari K.
  pp 10889-10899
   
  Improvement of multiconfigurational wave functions and energies by
  correlation energy functionals. 
  Moscardo F; Munoz-Fraile F; Perez-Jimenez AJ; Perez-Jorda JM; San-Fabian E.
  pp 10900-10902
   
  The three isomers of protonated ethane, C2H7+. 
  East ALL; Liu ZF; McCague C; Cheng K; Tse JS.
  pp 10903-10911
   
  Valence states in molecules. 3. Transferable vibrational force constants
  front homonuclear data. 
  von Szentpaly L.
  pp 10912-10915
   
  Excited-state properties of trichromophoric dye molecules.   
  Menzel R; Thiel E.
  pp 10916-10920