Chemical Physics, 1999, V 240, N 1-2, Jan 1.

  Publisher's note. [Editorial Material]
  Trommsdorff HP.
  pp V
   
  Ab initio theoretical optical rotations of small molecules. 
  Polavarapu PL; Chakraborty DK.
  pp 1-8
   
  Ab initio study of the amino group twisting and wagging reaction paths in
  the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile.
  Sudholt W; Sobolewski AL; Domcke W.
  pp 9-18
   
  Diatomics-in-molecules applied to solid hydrogen doped with O(D-1(g)).
  Kuntz PJ.
  pp 19-38
   
  Analysis of a nonlinear optical response of CN-ions adsorbed on metal
  electrode: tentative interpretation by means of ab initio molecular
  calculations. 
  Tadjeddine M; Flament JP.
  pp 39-50
   
  Infrared absorption and Raman scattering of (Z)-3-hydroxypropenal. A
  density functional theoretical study. 
  Spanget-Larsen J.
  pp 51-61
   
  L-alanyl-L-alanine in the zwitterionic state: structures determined in the
  presence of explicit water molecules and with continuum models using
  density functional theory. 
  Knapp-Mohammady M; Jalkanen KJ; Nardi F; Wade RC; Suhai S.
  pp 63-77
   
  DIM models for RgX(2)(-) systems: suppressed influence of spin-orbit
  coupling and induced multipole effects for the Ar-I-2(-) interaction.
  Naumkin FY.
  pp 79-91
   
  Effect of solvent fluctuations on proton transfer dynamics: a hybrid
  AM1/MM molecular dynamics simulation on the [H3N-H-NH3](+) system.
  Li GS; Costa MTCM; Millot C; Ruiz-Lopez MF.
  pp 93-99
   
  Molecular modelling study for chiral separation of equol enantiomers by
  beta-cyclodextrin. 
  Alvira E; Garcia JI; Mayoral JA.
  pp 101-108
   
  On librational broadening of vibrational transitions in liquids: a simple
  model. 
  Ulness DJ; Kirkwood JC; Albrecht AC.
  pp 109-116
   
  Investigation of vibrational states of the ArHCl+ cation in the electronic
  ground state. 
  Zuhrt C; Neumann R; Zulicke L.
  pp 117-128
   
  Control of transition state spectra: a variational algorithm. 
  Skodje RT; Sadeghi R; Krause JL.
  pp 129-139
   
  Radical-substituted allenes as high-spin species and subunits of organic
  ferromagnets. 
  Beust R; Tyutyulkov N; Rabinovitz M; Dietz F.
  pp 141-148
   
  Localisation vs. delocalisation in the dimeric mixed-valence clusters in
  the generalised vibronic model. Magnetic manifestations. 
  Borras-Almenar JJ; Coronado E; Ostrovsky SM; Palii AV; Tsukerblat BS.
  pp 149-161
   
  Laser driven hydrogen tunneling in a dissipative environment. 
  Naundorf H; Sundermann K; Kuhn O.
  pp 163-172
   
  Simulation of excitonic optical line shapes of cyclic molecular aggregates
  with 9 and 18 units: influence of quasi-static and dynamic disorder.
  Barvik I; Warns C; Neidlinger T; Reineker P.
  pp 173-189
   
  Nonlinear absorption and refraction in porphyrazine derivatives. 
  Tsai CY; Chen SP; Wen TC.
  pp 191-196
   
  Hole transport in arylamine doped polymers. 
  Visser SA; Gruenbaum WT; Magin EH; Borsenberger PM.
  pp 197-203
   
  Modeling nonlinear optical properties of inorganic complexes. Counterion
  effects. 
  Cundari TR; Kurtz HA; Zhou T.
  pp 205-214
   
  On the nonequilibrium effects in thermally activated reactions A+A
  reversible arrow B+B reversible arrow C+C. 
  Gorecki J; Gorecka JN.
  pp 215-227
   
  Competition between electronic and vibrational predissociation in
  Ar-I-2(B): a molecular dynamics with quantum transitions study. 
  Bastida A; Zuniga J; Requena A; Halberstadt N; Beswick JA.
  pp 229-239
   
  A semiclassical surface-hopping procedure for vibrational relaxation in
  polyatomic molecules: model calculations. 
  Velev P; Herman MF.
  pp 241-252
   
  Cavitation contribution to the free energy of solvation. Comparison of
  different formalisms in the context of MST calculations. 
  Colominas C; Luque FJ; Teixido J; Orozco M.
  pp 253-264
   
  A Keilson-Storer type collision kernel for rotation-translation coupling.
  Gelin MF.
  pp 265-273
   
  Electric field effect on the upper critical solution temperature.
  Orzechowski K.
  pp 275-281
   
  Vibrational excitation of the C-3 Pi(u) state of N-2 by electron impact.
  Poparic G; Vicic M; Belic DS.
  pp 283-289
   
  Paramagnetic susceptibility simulations from crystal field effects on Nd3+
  in magnesium borate MgNd(BO2)(5). 
  Cascales C; Puche RS; Porcher P.
  pp 291-301
   
  High-order double exchange in mixed-valence [Fe(III)Fe(II)] cluster.
  Belinsky MI.
  pp 303-311