Exploration for the Optical Properties and Fluorescent Prediction of Nitrotriazole and Nitrofurazan: First-Principles and TD-DFT Calculations

Author:

Lyu Ruiqi1ORCID,Huang Zhiyu2,Deng Hongbo13ORCID,Wei Yue1,Chen Jia4,Zhong Kai5,Wang Rong5,Mou Chuanlin1,Wang Linyuan1ORCID

Affiliation:

1. School of Chemistry and Chemical Engineering, Southwest Petroleum University, Chengdu 610500, Sichuan, China

2. School of New Energy and Materials, Southwest Petroleum University, Chengdu 610500, Sichuan, China

3. Oil & Gas Field Applied Chemistry Key Laboratory of Sichuan Province, Chengdu 610500, Sichuan, China

4. CNOOC Enertech Equipment Technology Co., Ltd, Tianjin 300452, China

5. Institute of Chemical Materials, China Academy of Engineering Physics (CAEP), P.O. Box 919-311, Mianyang 621999, Sichuan, China

Funder

National Natural Science Foundation of China

Oil and Gas Field Applied Chemistry Laboratory of Sichuan Province, Southwest Petroleum University,

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

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