화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 Raman Intensities from Kohn-SHAM Calculations
Stirling A
Journal of Chemical Physics, 104(4), 1254, 1996
2 An Ab-Initio Study of the Complex BF3-Center-Dot-NF3
Ford TA, Steele D
Journal of Physical Chemistry, 100(50), 19336, 1996
3 Novel Model for Calculating the Intermolecular Part of the Infrared-Spectrum for Molecular-Complexes
Astrand PO, Karlstrom G, Engdahl A, Nelander B
Journal of Chemical Physics, 102(9), 3534, 1995
4 An Ab-Initio Derived Torsional Potential-Energy Surface for (H2O)(3) .2. Benchmark Studies and Interaction Energies
Klopper W, Schutz M, Luthi HP, Leutwyler S
Journal of Chemical Physics, 103(3), 1085, 1995
5 Density-Functional Computations of the Dipole-Moment Derivatives for Halogenated Methanes
Papousek D, Papouskova Z, Chong DP
Journal of Physical Chemistry, 99(42), 15387, 1995
6 Effective Potentials for Liquid Water Using Polarizable and Nonpolarizable Models
Wallqvist A, Berne BJ
Journal of Physical Chemistry, 97(51), 13841, 1993