Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Hai-Chao Ren"'
Autor:
Hai-Chao Ren, Lin-Xiang Ji, Tu-Nan Chen, Yong-Gang Liu, Rui-Peng Liu, Dong-Qing Wei, Xian-Zhen Jia, Guang-Fu Ji
Publikováno v:
ACS Omega, Vol 7, Iss 4, Pp 3758-3767 (2022)
Externí odkaz:
https://doaj.org/article/fd7e9b86d1ca46dab755657e4f807603
Autor:
Hai-Chao Ren, Lin-Xiang Ji, Tu-Nan Chen, Xian-Zhen Jia, Rui-Peng Liu, Xiu-Qing Zhang, Dong-Qing Wei, Xiao-Feng Wang, Guang-Fu Ji
Publikováno v:
Molecules, Vol 27, Iss 7, p 2153 (2022)
Inspired by the recent cocrystallization and theory of energetic materials, we theoretically investigated the intermolecular vibrational energy transfer process and the non-covalent intermolecular interactions between explosive compounds. The intermo
Externí odkaz:
https://doaj.org/article/fed0cb6dd46340cba3eafebbaade223e
Autor:
Tu Nan Chen, Yao Yao Huang, Lin Xiang Ji, Hai Chao Ren, Jiao Nan Yuan, Guang-Fu Ji, Dong-Qing Wei, Zengming Zhang
Publikováno v:
The Journal of Physical Chemistry B. 124:9570-9578
There is no doubt that electric fields of a specific frequency and intensity could excite certain vibrational modes of a macromolecule, which alters its mode coupling and conformation. Motivated by recent experiments and theories, we study the mode c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f0be1d9d59be637b7da3d7908d57360
https://doi.org/10.1021/acs.jpcb.0c06251
https://doi.org/10.1021/acs.jpcb.0c06251
Publikováno v:
Zeitschrift für Naturforschung A. 75:285-291
Microscopic electron properties of α-hexahydro-1,3,5-trinitro-1,3,5-triazine (α-RDX) with different shock wave velocities have been investigated based on molecular dynamics together with multi-scale shock technique. The studied shock wave velocitie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9d6f2234be8edbe84769f63c047b8cab
https://doi.org/10.1515/zna-2019-0379
https://doi.org/10.1515/zna-2019-0379
Autor:
Gurudeeban Selvaraj, Tu Nan Chen, Xiu-Qing Zhang, Dong-Qing Wei, Hai Chao Ren, Satyavani Kaliamurthi, Zengming Zhang, Jiao Nan Yuan, Guang-Fu Ji
Publikováno v:
International Journal of Quantum Chemistry. 120
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3d92a57475398950801c35a213604528
https://doi.org/10.1002/qua.26169
https://doi.org/10.1002/qua.26169
Publikováno v:
The Journal of Physical Chemistry C. 122:17994-18004
The geometry optimizations and vibrational frequencies of cationic dopamine (DAH+) under different intensity of electric fields (IEFs) are investigated using density function theory (DFT)/B3LYP/6-3...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::83a2b3c37d56e7f02ab3beb8a4a4cd9f
https://doi.org/10.1021/acs.jpcc.8b05607
https://doi.org/10.1021/acs.jpcc.8b05607