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Estimation of heats of formation for nitrogen-rich cations using G3, G4, and G4 (MP2) theoretical methods.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 8, p. 1, doi. 10.1007/s00214-018-2300-6
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- Article
Replacement of an Azide Group with Carbonyl‐Azide in Nitrogen‐Rich Energetic Materials: Searching for Possible Alternatives with a Computational Approach.
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- ChemistrySelect, 2018, v. 3, n. 30, p. 8651, doi. 10.1002/slct.201801413
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- Article
Computational assessment of energetic salts containing 7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole.
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- Journal of Chemical Sciences, 2018, v. 130, n. 8, p. 1, doi. 10.1007/s12039-018-1508-2
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- Article
Theoretical determination of the effects of various linkages between trinitrobenzenes on energetic properties and sensitivity.
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- Journal of Molecular Modeling, 2019, v. 25, n. 10, p. 1, doi. 10.1007/s00894-019-4201-6
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- Article
Assessment of density prediction methods based on molecular surface electrostatic potential.
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- Journal of Molecular Modeling, 2018, v. 24, n. 7, p. 1, doi. 10.1007/s00894-018-3702-z
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- Article
Estimating the densities of benzene-derived explosives using atomic volumes.
- Published in:
- Journal of Molecular Modeling, 2018, v. 24, n. 3, p. 0, doi. 10.1007/s00894-018-3588-9
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- Article