Ab initio-gradient optimized molecular geometry and conformational analysis of 1,3-propanediol at the 4-21G level

  1. Vázquez, S.
  2. Mosquera, R.A.
  3. Rios, M.A.
  4. Van Alsenoy, C.
Journal of Molecular Structure: THEOCHEM

ISSN: 0166-1280

Year of publication: 1988

Volume: 181

Issue: 1-2

Pages: 149-167

Type: Article

DOI: 10.1016/0166-1280(88)80036-8 GOOGLE SCHOLAR