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Rotational barriers of disilane, hexafluorodisilane, and hexamethyldisilane: Ab initio, density functional, and molecular mechanics (MM3) studies.

Soo Gyeong ChoOne Kwon RimGyoosoon Park
Published in: J. Comput. Chem. (1997)
Keyphrases
  • molecular dynamics
  • empirical studies
  • degrees of freedom
  • protein structure prediction
  • maximum error
  • molecular level
  • microarray
  • rms error