ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

INDO and MINDO/2 study of hydrogen-bonded systems

A. A Hasanein and I. Hubač

Department of Chemistry, Faculty of Science, Alexandria University, Alexandria, Egypt

Abstract: The INDO and MINDO/2 methods are used to calculate the energies of intra- and intermolecular H bonds in 1,2-, 1,3-, 1,4-butanediols and the MeOH...OEt₂, MeOH...NMe₃ H-bonded systems. The results are discussed in relation to experimentally obtained values.

Full paper in Portable Document Format: 351a9.pdf

Chemical Papers 35 (1) 9–13 (1981)