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