A density functional theory investigation of the substituent effect on acyclovir and guanine derivatives for applications on energetic materialsOA
A density functional theory investigation of the substituent effect on acyclovir and guanine derivatives for applications on energetic materials
Luciana Amorim da Silva;Gabriel Monteiro-de-Castro;Erick Braga Ferrão Galante;Itamar Borges Jr;Aline Cardoso Anastácio
Chemical Engineering Department,Military Institute of Engineering,Rio de Janeiro,RJ,BrazilChemical Engineering Department,Military Institute of Engineering,Rio de Janeiro,RJ,BrazilChemical Engineering Department,Military Institute of Engineering,Rio de Janeiro,RJ,BrazilChemical Engineering Department,Military Institute of Engineering,Rio de Janeiro,RJ,BrazilChemical Engineering Department,Military Institute of Engineering,Rio de Janeiro,RJ,Brazil
Nitrogen heterocyclesSubstituent effectsEnergetic materialsDFTDetonation properties
Nitrogen heterocyclesSubstituent effectsEnergetic materialsDFTDetonation properties
《含能材料前沿（英文）》 2024 (4)
293-308,16
I.B.thanks the Brazilian agencies CNPq,through research grants 304148/2018-0 and 409447/2018-8,Faperj through grant E-26/201.197/2021 for the support of this work.We thank the Brazilian Army for the support of this work.
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