Detalhe da pesquisa
1.
Theoretical study on the correlation between the structure, excess energy, surface energy, electronic structure, nitro charge, and friction sensitivity of N,N'-dinitroethylenediamine (EDNA).
Phys Chem Chem Phys
; 25(40): 27488-27497, 2023 Oct 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-37800301
2.
The effect of pressure on the structural, electronic and vibrational properties of solid carbon dioxide phases.
Phys Chem Chem Phys
; 24(7): 4462-4474, 2022 Feb 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35113110
3.
The comparative study of structural, electronic, and optical properties of hydrogen peroxide and its dihydrate under pressures: first-principle calculations.
J Mol Model
; 28(3): 72, 2022 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-35226197
4.
Electronic, optical, and vibrational properties of B3N3H6 from first-principles calculations.
J Mol Model
; 27(9): 241, 2021 Aug 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-34365529
5.
First-principles calculation of electronic, vibrational, and thermodynamic properties of triaminoguanidinium nitrate.
J Mol Model
; 27(6): 187, 2021 May 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-34037870
6.
The Raman and IR vibration modes of metal pentazolate hydrates [Na(H2O)(N5)]·2H2O and [Mg(H2O)6(N5)2]·4H2O.
J Mol Model
; 26(4): 84, 2020 Mar 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-32211979