Cálculos teóricos para elucidação eletrônica de barreiras rotacionais: teoria e aplicações

Autor: Bihain, Murielly Fernanda Ribeiro, Sousa, Raissa Santos, Aguiar Filho, Sílvio Quintino de, Pereira, Douglas Henrique

Publikováno v: Journal of Biotechnology and Biodiversity; Vol. 8 No. 2 (2020): Journal of Biotechnology and Biodiversity; 136-147
Journal of Biotechnology and Biodiversity; Vol. 8 Núm. 2 (2020): Journal of Biotechnology and Biodiversity; 136-147
Journal of Biotechnology and Biodiversity; v. 8 n. 2 (2020): Journal of Biotechnology and Biodiversity; 136-147

Theoretical calculations of electronic structure are tools of theoretical chemistry. Its importance extends from rotation analyses, hyperconjugation, steric effects on orbital location calculations, energy level and interaction between ligand and ant

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=periodicosuf::043e1dfa7dcc68276923e686e4c1efcd
https://sistemas.uft.edu.br/periodicos/index.php/JBB/article/view/8353

Síntese, Caracterização, Cálculos Teóricos de RMN e Estrutura Cristalina do 3-metil-1H-1,2,4?4-triazol-5-amina acetato

Autor: Patricia Saraiva Vilas Boas Almeida, José Roberto da Silveira Maia, Márcia Cristina de Souza, Alison Geraldo Pacheco

Publikováno v: The Journal of Engineering and Exact Sciences; Vol. 8 No. 7 (2022); 14608-01i
The Journal of Engineering and Exact Sciences; Vol. 8 Núm. 7 (2022); 14608-01i
The Journal of Engineering and Exact Sciences; v. 8 n. 7 (2022); 14608-01i
The Journal of Engineering and Exact Sciences
Universidade Federal de Viçosa (UFV)
instacron:UFV

The condensation reaction between aminoguanidine bicarbonate with carboxylic acids led to the formation of 3-methyl-1H-1,2,4-triazole-5-amine (mta), 3-methyl-1H-1,2,4l4-triazole-5-amine acetate (Hmta) and 3-phenyl-1H-1,2,4-triazole-5-amine (pta). The

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4e07058ce00759b97159757c02e6e2d9
https://periodicos.ufv.br/jcec/article/view/14608

Cálculos teóricos para elucidação eletrônica de barreiras rotacionais: teoria e aplicações

Autor: Sílvio Quintino de Aguiar Filho, Murielly Fernanda Ribeiro Bihain, Douglas Henrique Pereira, Raissa Santos Sousa

Publikováno v: Journal of Biotechnology and Biodiversity. 8:136-147

Cálculos teóricos de estrutura eletrônica são ferramentas da química teórica. Sua importância se estende desde a análises de rotação, hiperconjugação, efeitos estéricos a cálculos de localização de orbitais, nível de energia e intera

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a62c97092671935cbdf39fb0bb63d42b
https://doi.org/10.20873/jbb.uft.cemaf.v8n2.bihain

Determinação da Configuração Relativa do ácido 3β,6α,19α,23-tetrahidroxi-12-en-28-óico por meio de cálculos teóricos de Ressonância Magnética Nuclear

Autor: Evani Ferreira Cardoso, Gunar Vingre da Silva Mota

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b2903ce00774cbb93eae3749e0e05d61
https://doi.org/10.21826/9786587422237-27

Análise conformacional por cálculos teóricos da distinctina, peptídeo antimicrobiano isolado de anuros da espécie Phyllomedusa distincta Conformational analysis by theoretical calculations of distinctin, an antimicrobial peptide isolated from Phyllomedusa distincta

Autor: Victor H. de Oliveira Munhoz, Antônio F. de Carvalho Alcântara, Dorila Piló-Veloso

Publikováno v: Química Nova, Vol 31, Iss 4, Pp 822-827 (2008)

Various studies demonstrate that different frog species produce distinct classes of biologically active peptides. These peptides can act as alternative agents against pathogenic bacteria and fungi by membrane permeability. Although studies have recen

Externí odkaz: https://doaj.org/article/2a2c9239718746cb8bebb83de1c0da3b