Inter- and Intramolecular Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene: An Experimental and Theoretical Quantum Theory of Atoms in Molecules (QTAIM) Analysis-Reference-Cited by-同舟云学术

Inter- and Intramolecular Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene: An Experimental and Theoretical Quantum Theory of Atoms in Molecules (QTAIM) Analysis

Published:2017-08-30 Issue:10 Volume:17 Page:5200-5207
ISSN:1528-7483
Container-title:Crystal Growth & Design
language:en
Short-container-title:Crystal Growth & Design

Author:

Chua Zhijie¹,Gianopoulos Christopher G.¹,Zarychta Bartosz¹²,Zhurova Elizabeth A.¹,Zhurov Vladimir V.¹,Pinkerton A. Alan¹^ORCID

Affiliation:

1. Department of Chemistry, University of Toledo, Toledo, Ohio 43606, United States

2. Department of Chemistry, Opole University, ul. Oleska 48, 45-052 Opole, Poland

Funder

Office of Naval Research

Publisher

American Chemical Society (ACS)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.cgd.7b00674

Reference59 articles.

1. Politzer, P.; Murray, J. S.Theoretical and Computational Chemistry;Elsevier, 2003; Vol.12,Part 1, pv.

2. Chemical bonding in pentaerythritol at very low temperature or at high pressure: an experimental and theoretical study

3. A Quantum Mechanical Investigation of the Relation between Impact Sensitivity and the Charge Distribution in Energetic Molecules

4. The crystal structure of 1,3,5-triamino-2,4,6-trinitrobenzene

5. Bond charge depletion, bond strength and the impact sensitivity of high energetic 1,3,5-triamino 2,4,6-trinitrobenzene (TATB) molecule: A theoretical charge density analysis

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