Issue 5, 1991

A comparison of semiempirical and ab initio methods for the study of structural features of relevance in carbohydrate chemistry

Abstract

Semiempirical and ab initio molecular orbital calculations have been performed on methanediol, and indicate that the former are capable of reproducing the trends in geometries, conformational energies and proton affinities associated with the anomeric and related effects.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1991, 334-337

A comparison of semiempirical and ab initio methods for the study of structural features of relevance in carbohydrate chemistry

R. J. Woods, W. A. Szarek and V. H. Smith, J. Chem. Soc., Chem. Commun., 1991, 334 DOI: 10.1039/C39910000334

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Spotlight

Advertisements