Detalhe da pesquisa
1.
Initial Decomposition Mechanism of NH3OH+N5- Crystal under Thermal and Shock Loading: A First-Principles Study.
J Phys Chem A
; 128(11): 2121-2129, 2024 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38452368
2.
Multi-aspect simulation insight on thermolysis mechanism and interaction of NTO/HMX-based plastic-bonded explosives: a new conception of the mixed explosive model.
Phys Chem Chem Phys
; 25(31): 20951-20968, 2023 Aug 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37496442
3.
TDDFT calculations of the PETN's ultraviolet absorption spectrum under the electric field loading.
J Mol Model
; 29(2): 39, 2023 Jan 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-36640252
4.
Theoretical study on the influence of different solvents on the growth morphology of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF).
J Mol Model
; 29(6): 179, 2023 May 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-37195366
5.
Challenging the Limitations of Tetranitro Biimidazole through Introducing a gem-Dinitromethyl Scaffold.
Org Lett
; 25(8): 1290-1294, 2023 Mar 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-36795059
6.
Comprehensive theoretical study on safety performance and mechanical properties of 3-nitro-1,2,4-triazol-5-one (NTO)-based polymer-bonded explosives (PBXs) via molecular dynamics simulation.
J Mol Model
; 28(12): 406, 2022 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36451058
7.
Molecular dynamics simulation of initial thermal decomposition mechanism of DNTF.
J Mol Model
; 28(5): 111, 2022 Apr 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-35368209
8.
Theoretical insight on effect of DMSO-acetonitrile co-solvent on the formation of CL-20/HMX cocrystal explosive.
J Mol Model
; 27(1): 8, 2021 Jan 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-33392813
9.
The thermal decomposition process of Composition B by ReaxFF/lg force field.
J Mol Model
; 26(9): 245, 2020 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32820387
10.
Effect of solvent mixture on the formation of CL-20/HMX cocrystal explosives.
J Mol Model
; 26(1): 8, 2019 Dec 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-31834533
11.
Theoretical and experimental investigation into a eutectic system of 3,4-dinitropyrazole and 1-methyl-3,4,5-trinitropyrazole.
J Mol Model
; 24(1): 9, 2017 Dec 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-29230541
12.
Theoretical investigation of the effects of the molar ratio and solvent on the formation of the pyrazole-nitroamine cocrystal explosive 3,4-dinitropyrazole (DNP)/2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (CL-20).
J Mol Model
; 23(12): 353, 2017 Nov 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-29177847
13.
Growth morphology of CL-20/HMX cocrystal explosive: insights from solvent behavior under different temperatures.
J Mol Model
; 23(12): 360, 2017 Nov 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-29185114
14.
Theoretical insight into the binding energy and detonation performance of ε-, γ-, ß-CL-20 cocrystals with ß-HMX, FOX-7, and DMF in different molar ratios, as well as electrostatic potential.
J Mol Model
; 22(6): 123, 2016 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-27168198
15.
Theoretical insight into the sensitive mechanism of multilayer-shaped cocrystal explosives: compression and slide.
J Mol Model
; 22(5): 108, 2016 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-27094730