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Effect of electronic excitation to intermolecular proton transfer in bulk nitromethane: Tuned parameter SCC-DFTB and first principles study
Guo, Feng, Zhang, Hong, Zhang, Chao-Yang, Cheng, Xin-Lu, Hu, Hai-QuanVolume:
14
Language:
english
Journal:
Journal of Theoretical and Computational Chemistry
DOI:
10.1142/s0219633615500133
Date:
March, 2015
File:
PDF, 985 KB
english, 2015