The Molecular Mechanics of Quantized Valence Bonds

@article{Box1997TheMM,
  title={The Molecular Mechanics of Quantized Valence Bonds},
  author={Vernon G. S. Box},
  journal={Molecular modeling annual},
  year={1997},
  volume={3},
  pages={124-141}
}
  • V. Box
  • Published 28 March 1997
  • Chemistry, Physics
  • Molecular modeling annual
A new force field, Quantized Valence Bonds′ Molecular Mechanics (QVBMM) has been included in the molecular modeling program STR3DI.EXE. The QVBMM force field successfully embraces and implements all of the pivotal concepts in VSEPR theory and uniquely integrates lone pairs into molecular mechanics. QVBMM facilitates a detailed analysis of the stereo-electronic effects that contribute to the structural and conformational preferences of organic molecules in their ground states, including those… 

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