QSPR modeling of detonation parameters and sensitivity of some energetic materials: DFT vs. PM3 calculations-Reference-Cited by-同舟云学术

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QSPR modeling of detonation parameters and sensitivity of some energetic materials: DFT vs. PM3 calculations

Published:2017-05-22 Issue:6 Volume:23 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Zhang Jianying,Chen Gangling,Gong Xuedong

Funder

General project of natural science researches in Anhui Province

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

http://link.springer.com/article/10.1007/s00894-017-3357-1/fulltext.html

Reference97 articles.

1. Grover M, Singh B, Bakshi M, Singh S (2000) Quantitative structure-property relationships in pharmaceutical research - part 1. Pharm Sci Technol Today 3:28–35

2. Grover M, Singh B, Bakshi M, Singh S (2000) Quantitative structure-property relationships in pharmaceutical research – part 2. Pharm Sci Technol Today 3:50–57

3. Hansch C (1969) Quantitative approach to biochemical structure-activity relationships. Acc Chem Res 2:232–239

4. Gao H, Katzenellenbogen JA, Garg R, Hansch C (1999) Comparative QSAR analysis of estrogen receptor ligands. Chem Rev 99:723–744

5. Winkler DA (2002) The role of quantitative structure-activity relationships (QSAR) in biomolecular discovery. Brief Bioinform 3:73–86

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