| 1 |
Energetic vs structural study of two biomass degradation derivatives: 2-Cyclopentenone and 3-methyl-2-cyclopentenone
Silva ALR, Moura C, da Silva MDMCR
Journal of Chemical Thermodynamics, 132, 390, 2019 |
| 2 |
Experimental and computational thermochemical study of two fluorobenzazoles: 5-fluoro-2-methylbenzoxazole and 5-fluoro-2-methylbenzothiazole
Silva ALR, Goncalves JM, da Silva MDMCR
Journal of Chemical Thermodynamics, 120, 157, 2018 |
| 3 |
N-2 elimination thermolysis reactions of 9-(4-and 5-substituted-1,2,3-triazol-1-yl)acridines to produce 1H-pyrido-[4,3,2-kl] derivatives - A theoretical study
Taherpour A, Ghasemhezaveh F, Yari A, Khodaei MM
Chemical Physics Letters, 676, 154, 2017 |
| 4 |
What is the enthalpy of formation of pyrazine-2-carboxylic acid?
Miranda MS, Duarte DJR, Liebman JF
Journal of Chemical Thermodynamics, 97, 268, 2016 |
| 5 |
A DFT theoretical study of heats of formation and detonation properties of nitrogen-rich explosives
Jaidann M, Roy S, Abou-Rachid H, Lussier LS
Journal of Hazardous Materials, 176(1-3), 165, 2010 |
| 6 |
An Ab Initio Theoretical Study of 2,4,6-Trinitro-1,3,5-Triazine, 3,6-Dinitro-1,2,4,5-Tetrazine, and 2,5,8-Trinitro-Tri-s-Triazine
Li JS
Propellants Explosives Pyrotechnics, 33(6), 443, 2008 |
| 7 |
A density functional study of dissociative electron transfer reactions with participation of halogenated methanes
Kuznetsov AM, German ED, Masliy AN, Korshin GV
Journal of Electroanalytical Chemistry, 573(2), 315, 2004 |
| 8 |
Theoretical calculation and molecular design for high explosives: Theoretical study on polynitropyrazines and their N-oxides
Li JS, Huang YG, Dong HS
Propellants Explosives Pyrotechnics, 29(4), 231, 2004 |
| 9 |
A DFT study of hBN compared with graphite in forming alkali metal intercalation compounds
Dai BQ, Zhang GL
Materials Chemistry and Physics, 78(2), 304, 2002 |
