Scholarly Works

Non-empirical molecular orbital theory of the...

Journal article

Non-empirical molecular orbital theory of the electronic structure of molecular crystals

Abstract

A non-empirical molecular orbital treatment of molecular crystals, based on SCF perturbation theory and matrix partitioning methods is presented.

Authors

O'Shea SF; Santry DP

Journal

Theoretical Chemistry Accounts, Vol. 37, No. 1, pp. 1–16

Publisher

Springer Nature

Publication Date

March 1, 1975

DOI

10.1007/bf00549767

ISSN

1432-881X

Associated Experts

David Peter Santry

Professor Emeritus, Faculty of Science

Labels

Fields of Research (FoR)

34 Chemical Sciences 3407 Theoretical and computational chemistry 3406 Physical chemistry

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