## Abstract Density functional theory (DFT) calculations at the B3LYP/aug‐cc‐pVDZ level have been carried out to study the geometry and electronic structures, stability, sensitivity and band gap of the possible isomers of aminonitropyrazole‐2‐oxides. Kamlet‐Jacob equations were used to determine th
Theoretical study on the structure and property relationship of the cationic conjugated polyelectrolytes
✍ Scribed by Yinghong Sheng; Jerzy Leszczynski; Thuc-Quyen Nguyen; Anu Bamgbelu
- Publisher
- Springer
- Year
- 2007
- Tongue
- English
- Weight
- 307 KB
- Volume
- 18
- Category
- Article
- ISSN
- 1040-0400
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