Journal of Physical Chemistry, 1998, V 102, N 51, Dec 17.
Mixed quantum/classical dynamics of hydrogen transfer reactions. [Review]
Hammes-Schiffer S.
pp 10443-10454
Comparison between experimental and three-dimensional quantum mechanical
rate constants for the NH(D)+NO reactions.
Szichman H; Baer M; Volpp HR; Wolfrum J.
pp 10455-10459
Raman and infrared spectra, conformational stability, normal coordinate
analysis, vibrational assignment, and AB initio calculations of
difluoromethylcyclopropane.
Durig JR; Yu ZH; Guirgis GA; Little TS; Zhen MZ; Lee MJ.
pp 10460-10468
Reduction of monophosphaallenes: An EPR study and ab initio investigations
of (HPCCH2)(-center dot) and (HPCHCH2)(center dot) radicals.
Chentit M; Sidorenkova H; Geoffroy M; Ellinger Y.
pp 10469-10475
Hydrogen bonding and intermolecular vibrations of 6-hydroxyquinoline H2O
in the S-0 and S-1 states.
Bach A; Hewel J; Leutwyler S.
pp 10476-10485
Ionization potentials for the titanium, zirconium, and the mixed metal
Met-Cars.
Sakurai H; Castleman AW.
pp 10486-10492
The mechanism of the gas-phase ion-molecule reaction between Al+ and
ethanol. [Review]
Stockigt D.
pp 10493-10500
Kinetics and mechanism of the IO+BrO reaction.
Bedjanian Y; Le Bras G; Poulet G.
pp 10501-10511
Oxidation of (carboxyalkyl)thiopropionic acid derivatives by hydroxyl
radicals. Mechanisms and kinetics of competitive inter- and intramolecular
formation of sigma- and sigma*-type sulfuranyl radicals.
Bobrowski K; Pogocki D; Schoneich C.
pp 10512-10521
Mechanistic and kinetic study of the gas-phase reaction of hydroxyl
radical with dimethyl sulfoxide.
Urbanski SP; Stickel RE; Wine PH.
pp 10522-10529
Substituent effects on the structure and aromaticity of 4-silatriafulvene.
Veszpremi T; Takahashi M; Hajgato B; Ogasawara J; Sakamoto K; Kira M.
pp 10530-10535
Theoretical investigation of the ground X-3 Sigma(-) state of nitrogen
bromide.
Kalemos A; Mavridis A; Xantheas SS.
pp 10536-10539
Complexes of sulfuric acid with hydrogen chloride, water, nitric acid,
chlorine nitrate, and hydrogen peroxide: An ab initio investigation.
Beichert P; Schrems O.
pp 10540-10544
Density functional modeling of long range magnetic interactions in
binuclear oxomolybdenum(V) complexes.
Bencini A; Gatteschi D; Totti F; Sanz DN; Mc Cleverty JA; Ward MD.
pp 10545-10551
Origin of autocatalysis in the biphasic alkaline hydrolysis of C-4 to C-8
ethyl alkanoates.
Buhse T; Lavabre D; Nagarajan R; Micheau JC.
pp 10552-10559
Elemental chlorine and chlorine fluoride: Theoretical and experimental
proton affinity and the gas phase chemistry of Cl2H+ and FClH+ ions.
Cacace F; de Petris G; Pepi F; Rosi M; Sgamellotti A.
pp 10560-10567
Isotopic GCMS study of the mechanism of methane partial oxidation to
synthesis gas.
Hu YH; Ruckenstein E.
pp 10568-10571