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