Comparison of the electron diffraction and ab initio structures of neopentane and di-tert-butyl methane
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference15 articles.
1. Molecular structures of neopentane and di-tert-butylmethane by vapor-phase electron diffraction
2. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
3. An efficient ab initio gradient program
4. Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives
5. Estimates for systematic empirical corrections of consistent 4–21G ab initio geometries and their correlations to total energy group increments
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