• 已选条件：
  • × SciELO
  • × molecular modeling
 全选  【符合条件的数据共：40条】

1 Computation-Guided Support to Experiments by the Exploration of Reaction Mechanisms: Organic Synthesis, Natural Products and Environmental Issues [期刊论文]

来源：Journal of the Brazilian Chemical Society , 2023

作者:Andrade, Karine N. de;Fajardo, José Renato D.;Leal, Caio A.;等

关键词:computational chemistry;DFT;...

使用许可:CC BY

预览  |  原文链接  |  全文  [ 浏览：0 下载：0  ]    

2 Synthesis and Molecular Modeling Study of Two Bromo-Dimethoxybenzaldehydes [期刊论文]

来源：Journal of the Brazilian Chemical Society , 2022

作者:Borges, Igor D.;Navarrete, Angélica;Aguirre, Gerardo;等

关键词:bromo-dimethoxybenzaldehyde;X-ray diffraction;...

使用许可:CC BY

预览  |  原文链接  |  全文  [ 浏览：0 下载：0  ]    

3 Molecular Modeling and Chemical Synthesis of New Safrol Oxime Ether Derivatives [期刊论文]

来源：Journal of the Brazilian Chemical Society , 2021

作者:Silva, Mariana G. R.;Veloso, Marcia P.;Chagas, Thaynan A. B.;等

关键词:leishmaniasis;molecular modeling;...

使用许可:CC BY

预览  |  原文链接  |  全文  [ 浏览：0 下载：0  ]    

4 The Correlation Between Electronic Structure and Antimalarial Activity of Tetrahydropyridines [期刊论文]

来源：Journal of the Brazilian Chemical Society , 2015

作者:Oscar A. Naranjo-montoya;Lucas M. Martins;Luiz C. Da Silva-filho;等

关键词:antimalarials;tetrahydropyridines;...

使用许可:CC BY

预览  |  原文链接  |  全文  [ 浏览：0 下载：0  ]    

5 ALK-5 Inhibition: A Molecular Interpretation of the Main Physicochemical Properties Related to Bioactive Ligands [期刊论文]

来源：Journal of the Brazilian Chemical Society , 2015

作者:Sheila C. Araujo;Vinicius G. Maltarollo;Danielle C. Silva;等

关键词:ALK-5;molecular modeling;...

使用许可:CC BY

预览  |  原文链接  |  全文  [ 浏览：0 下载：0  ]    

6 MÉTODO ALTERNATIVO PARA A SÍNTESE E MECANISMO DE 2-(1,3-DITIANO-2-ILIDENO)-ACETONITRILA [期刊论文]

来源：Química Nova , 2015

作者:Marcelle S. Ferreira, José D. Figueroa-villar

关键词:2-(1;3-dithian-2-ylidene)-acetonitrile;...

使用许可:CC BY-NC

预览  |  原文链接  |  全文  [ 浏览：0 下载：1  ]