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CNDO/2 Calculations for Organohalides

CNDO/2 Calculations for Organohalides <jats:p>A CNDO/2 parameterization for performing semiempirical molecular orbital calculations for organic molecules containing bromine and iodine is presented; the results are superior to those from other parameterizations, and generally agree with ab initio calculations and experiment. </jats:p> http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Australian Journal of Chemistry CrossRef

CNDO/2 Calculations for Organohalides

Australian Journal of Chemistry , Volume 39 (2): 233 – Jan 1, 1986

CNDO/2 Calculations for Organohalides


Abstract

<jats:p>A CNDO/2 parameterization for performing semiempirical molecular orbital calculations for organic molecules containing bromine and iodine is presented; the results are superior to those from other parameterizations, and generally agree with ab initio calculations and experiment. </jats:p>

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Publisher
CrossRef
ISSN
0004-9425
DOI
10.1071/ch9860233
Publisher site
See Article on Publisher Site

Abstract

<jats:p>A CNDO/2 parameterization for performing semiempirical molecular orbital calculations for organic molecules containing bromine and iodine is presented; the results are superior to those from other parameterizations, and generally agree with ab initio calculations and experiment. </jats:p>

Journal

Australian Journal of ChemistryCrossRef

Published: Jan 1, 1986

There are no references for this article.