Ab initioMRD-CI calculations for breaking a chemical bond in a molecule in a crystal or other solid environment. III. Me2N?NO2 decomposition of dimethylnitramine in a large crystalline environment-Reference-Cited by-同舟云学术

Ab initioMRD-CI calculations for breaking a chemical bond in a molecule in a crystal or other solid environment. III. Me2N?NO2 decomposition of dimethylnitramine in a large crystalline environment

Published:1991-04 Issue:4 Volume:39 Page:541-560
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Chapman Douglas A.,Roszak Szczepan,Keegstra Phillip B.,Hariharan P. C.,Kaufman Joyce J.,Buenker Robert S.

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference25 articles.

1. Ab-InitioMRD-CI calculations for breaking a chemical bond in a molecule in a crystal or other solid environment. II.H3C?NO2 decomposition of nitromethane in a nitromethane crystal with voids

2. ACS Symposium;Kaufman,1979

3. Symposium note: More new desirable computational strategies for ab initio calculations on large molecules, clusters, solids, and crystals

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