Ab initioMODPOT/VRDDO/MERGE calculations on energetic compounds. IV. Nitrocubanes: Mononitro to octanitro quantum chemical calculations and electrostatic molecular potential contour maps-Reference-Cited by-同舟云学术

Ab initioMODPOT/VRDDO/MERGE calculations on energetic compounds. IV. Nitrocubanes: Mononitro to octanitro quantum chemical calculations and electrostatic molecular potential contour maps

Published:1985-07 Issue:1 Volume:28 Page:39-59
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Hariharan P. C.,Kaufman Joyce J.,Lowrey Alfred H.,Miller Richard S.

Publisher

Wiley

Subject

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

Reference32 articles.

1. Ab initioMODPOT/VRDDO/MERGE calculations on energetic compounds. III. Nitroexplosives: Polyaminopolynitrobenzenes (including DATB, TATB, and tetryl)

2. X-Ray Structure Determination of Cubane

3. (a) ?MOLASYS: Computer Programs for Molecular Orbital Calculations on Large Systems,? The Johns Hopkins University, 1974.

4. (b) ?MOLASYS-MERGE,? The Johns Hopkins University, 1978.

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