Zobrazeno 1 - 10
of 37
pro vyhledávání: '"Wei-Peng Lai"'
Autor:
Zhi-xiang Zhang, Yi-tao Si, Tao Yu, Wei-peng Lai, Yi-ding Ma, Mao-chang Liu, Ying-zhe Liu, Bo-zhou Wang
Publikováno v:
Defence Technology, Vol 25, Iss , Pp 88-98 (2023)
An in-depth analysis on the cooperativity of intermolecular interactions including hydrogen bonding and π-π stacking in 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) crystal was studied. Two quantities, cooperativity rate and energy, were defined to
Externí odkaz:
https://doaj.org/article/7ad404df72aa47e6a178de862c9bc734
Publikováno v:
FirePhysChem, Vol 2, Iss 3, Pp 253-266 (2022)
In order to screen out novel energetic compounds with excellent comprehensive properties and provide theoretical guidance for design researcher, a series of difluoroamino energetic compounds were designed by combining energetic molecular scaffolds an
Externí odkaz:
https://doaj.org/article/0b866a5ee248470b87600f47733e664e
Publikováno v:
FirePhysChem, Vol 1, Iss 2, Pp 103-108 (2021)
In order to screen novel high energetic density compounds with high power and specific impulse, eight compounds containing an aza-cage or fused ring structure were designed. The B3PW91/6–31G(d,p) theoretical method was used to optimize their struct
Externí odkaz:
https://doaj.org/article/882687526cac4c1a8d797d4fe6c9805c
Publikováno v:
Royal Society Open Science, Vol 5, Iss 5 (2018)
The formation mechanism of pentazolate anion (PZA) is not yet clear. In order to present the possible formation pathways of PZA, the potential energy surfaces of phenylpentazole (PPZ), phenylpentazole radical (PPZ-R), phenylpentazole radical anion (P
Externí odkaz:
https://doaj.org/article/05580d30bc4e4b45bf3560e853cef5a5
Publikováno v:
FirePhysChem. 1:103-108
In order to screen novel high energetic density compounds with high power and specific impulse, eight compounds containing an aza-cage or fused ring structure were designed. The B3PW91/6–31G(d,p) theoretical method was used to optimize their struct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8988b9f67d65cbda7d1f59f50c2491eb
https://doi.org/10.1016/j.fpc.2021.04.006
https://doi.org/10.1016/j.fpc.2021.04.006
Autor:
Zhi-xiang Zhang, Yi-tao Si, Tao Yu, Wei-peng Lai, Yi-ding Ma, Mao-chang Liu, Ying-zhe Liu, Bo-zhou Wang
Publikováno v:
Defence Technology.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b9e8b74f1e056034c53a112b947fff86
https://doi.org/10.1016/j.dt.2022.04.019
https://doi.org/10.1016/j.dt.2022.04.019
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Publikováno v:
Computational and Theoretical Chemistry. 1118:39-44
Six novel nitroimidazole derivatives as high energy density materials were designed through modify the imidazole ring’s structure with the energetic groups. Their performances were estimated by the density functional theory method, thermodynamics a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::29738dd3aa24dd394f126e4ee9715359
https://doi.org/10.1016/j.comptc.2017.08.031
https://doi.org/10.1016/j.comptc.2017.08.031
Publikováno v:
Chemical Physics Letters. 647:85-88
A systematic investigations on the nitration of furoxan by two typical nitration reagents nitronium tetrafluoroborate (BF 4 NO 2 ) and dilute nitric acid (HNO 3 ) in chloroform (CHCl 3 ) solvent using density functional theory (DFT) method to reveal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e44cd0ac61d5b02b63f216a7f385cd22
https://doi.org/10.1016/j.cplett.2016.01.038
https://doi.org/10.1016/j.cplett.2016.01.038