Journal of Physical Chemistry, 1998, V 102, N 50, Dec 10.
Prompt and delayed dissociation of energy-rich larger molecules.
Remacle F; Levine RD.
pp 10195-10198
Dependence of calculated product rotational polarizations on the
scattering angle for the O(D-1)+HCl reaction.
Alvarino JM; Bolloni A; Hernandez ML; Lagana A.
pp 10199-10203
Product rotational polarization in photo-initiated bimolecular reactions
A+BC: Dependence on the character of the potential energy surface for
different mass combinations.
Wang ML; Han KL; He GZ.
pp 10204-10210
Ultrafast charge transfer in amino-substituted boron dipyrromethene dyes
and its inhibition by cation complexation: A new design concept for highly
sensitive fluorescent probes.
Kollmannsberger M; Rurack K; Resch-Genger U; Daub J.
pp 10211-10220
Matrix infrared study of O-initiated atomic oxidation of CH3Cl:
Identification of the triplet CH3Cl center dot center dot center dot O
complex.
Schriver-Mazzuoli L; Schriver A; Hannachi Y.
pp 10221-10229
Relative intensities of nonequivalent CH bonds in the local mode overtone
spectra of 1,3- and 1,4-cyclohexadiene.
Bellaiche-Sharpe P; Gough KM; Schattka BJ; Low GR; Kjaergaard HG.
pp 10230-10237
Characterization of the reaction products of laser-ablated early
lanthanide metal atoms with dinitrogen. Infrared spectra of LnN, LnN(2),
(LnN)(2), and Ln(NN)(x) molecules.
Willson SP; Andrews L.
pp 10238-10249
Matrix infrared spectra and density functional calculations of
Co(CO)(x)(-) (x = 1, 2, 3, 4) anions.
Zhou MF; Andrews L.
pp 10250-10257
Negative-ion photoelectron spectrum of tricarbonyl(eta
5-methylcyclopentadienyl)manganate(0).
Martel AA; Waller IM.
pp 10258-10260
Far-infrared, combination band, and Raman spectra of the ring-puckering
vibration of 1,4-disilacyclohexa-2,5-diene.
del Rosario A; Bitschenauer R; Dakkouri M; Haller K; Laane J.
pp 10261-10264
Analyzing chaotic behavior in a Belousov-Zhabotinskyi reaction by using a
global vector field reconstruction.
Letellier C; Maquet J; Labro H; Le Sceller L; Gouesbet G; Argoul F;
Arneodo A.
pp 10265-10273
Dye laser photolysis of n-pentanal from 280 to 330 nm.
Cronin TJ; Zhu L.
pp 10274-10279
Effect of HNO3 and HCl on D2O desorption kinetics from crystalline D2O
ice. [Review]
Livingston FE; George SM.
pp 10280-10288
Atmospheric oxidation of toluene in a large-volume outdoor photoreactor:
In situ determination of ring-retaining product yields.
Klotz B; Sorensen S; Barnes I; Becker KH; Etzkorn T; Volkamer R; Platt U;
Wirtz K; Martin-Reviejo M.
pp 10289-10299
Real-time kinetic measurements of the condensation and evaporation of D2O
molecules on ice at 140K < T < 220K.
Chaix L; van den Bergh H; Rossi MJ.
pp 10300-10309
A periodic density functional theory and Hartree-Fock study of alkali
halides with Gaussian orbitals.
Sandrone G; Dixon DA.
pp 10310-10317
Quantum chemistry-based force field for simulations of poly(propylene
oxide) and its oligomers.
Smith GD; Borodin O; Bedrov D.
pp 10318-10323
Molecular dynamics investigation of homogeneous nucleation in the freezing
of selenium hexafluoride.
Santikary P; Kinney KE; Bartell LS.
pp 10324-10332
Proton-assisted electron transfer.
Peluso A; Brahimi M; Carotenuto M; Del Re G.
pp 10333-10339
Born-Oppenheimer ab initio QM/MM dynamics simulations of Na+ and K+ in
water: From structure making to structure breaking effects.
Tongraar A; Liedl KR; Rode BM.
pp 10340-10347
Theoretical studies of the structure, tautomerism, and vibrational spectra
of 3-amino-5-nitro-1,2,4-triazole.
Sorescu DC; Bennett CM; Thompson DL.
pp 10348-10357
A potential function for describing intermolecular interactions in the
hydroxylamine dimer.
Cabaleiro-Lago EM; Rios MA.
pp 10358-10365
XSOL, a combined integral equation (XRISM) and quantum mechanical
solvation model: Free energies of hydration and applications to solvent
effects on organic equilibria.
Shao L; Yu HA; Gao JL.
pp 10366-10373
Reverse Watson-Crick isocytosine-cytosine and guanine-cytosine base pairs
stabilized by the formation of the minor tautomers of bases. An ab initio
study in the gas phase and in a water cluster.
Zhanpeisov NU; Sponer J; Leszczynski J.
pp 10374-10379
An ab initio model system investigation of the proposed mechanism for
activation of peroxidases: Cooperative catalytic contributions from the
ion and microsolvent water.
Woon DE; Loew GH.
pp 10380-10384
Laser-induced NMR shift for Hg-199 atom.
Li L; He TJ; Chen DM; Wang XY; Liu FC.
pp 10385-10390
Ab initio molecular orbital calculations for the N(D-2) plus ethylene
reaction.
Takayanagi T; Kurosaki Y; Sato K; Tsunashima S.
pp 10391-10398
Calculation of the proton and electron affinity of simple Ge-containing
species using density functional theory.
Morgon NH; Riveros JM.
pp 10399-10403
Novel density functional methodology for the computation of accurate
electronic and thermodynamic properties of molecular systems and improved
long-range behavior.
Kafafi SA.
pp 10404-10413
Structure and thermodynamics of gaseous oxides, hydroxides, and mixed
oxohydroxides of chromium: CrOm(OH)(n) (m, n = 0-2) and CrO3. A
computational study.
Espelid O; Borve KJ; Jensen VR.
pp 10414-10423
Heats of formation of GaCl3 and its fragments.
Bauschlicher CW.
pp 10424-10429
Effective nuclear charges for the first- through third-row transition
metal elements in spin-orbit calculations.
Koseki S; Schmidt MW; Gordon MS.
pp 10430-10435
Theoretical studies of carbocations in ion pairs. Part 3. The tert-butyl
cation in an ionic aggregate.
Farcasiu D; Lukinskas P.
pp 10436-10441
Novel density functional methodology for the computation of accurate
electronic and thermodynamic properties of molecular systems and improved
long-range behavior (vol 102, pg 10411, 1998). [Correction, Addition]
Kafafi SA.
pp 10442