Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Jorge A. Amador-Balderas"'
Autor:
Jorge A. Amador-Balderas, Michael-Adán Martínez-Sánchez, Ramsés E. Ramírez, Francisco Méndez, Francisco J. Meléndez
Publikováno v:
Molecules, Vol 25, Iss 7, p 1631 (2020)
A theoretical study of the effect of the substituent Z on the gas phase acidity of substituted benzoic acids ZC6H4COOH in terms of density functional theory descriptors (chemical potential, softness and Fukui function) is presented. The calculated ga
Externí odkaz:
https://doaj.org/article/ba74229464fd4ad9b4c904d927c9f9c9
Autor:
Ramsés E. Ramírez, Jorge A. Amador-Balderas, Francisco Méndez, Michael-Adán Martínez-Sánchez, Francisco J. Melendez
Publikováno v:
Molecules, Vol 25, Iss 1631, p 1631 (2020)
Molecules
Volume 25
Issue 7
Molecules
Volume 25
Issue 7
A theoretical study of the effect of the substituent Z on the gas phase acidity of substituted benzoic acids ZC6H4COOH in terms of density functional theory descriptors (chemical potential, softness and Fukui function) is presented. The calculated ga
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc2eb2f5b259dc6abf5c17a851e76765
https://www.mdpi.com/1420-3049/25/7/1631
https://www.mdpi.com/1420-3049/25/7/1631
Autor:
Ramsés E. Ramírez, Francisco J. Melendez, Arlette Richaud, Francisco Méndez, Jorge A. Amador-Balderas
Publikováno v:
Journal of Molecular Modeling. 24
The local and condensed Fukui functions as well as the principle of hard and soft acids and bases were used to study the addition of free radicals to the exocyclic and endocyclic double bonds of seven monocyclic monoterpenes of formula C10H16. The re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aa486dbe30d6a0efe067e24725c6d696
https://doi.org/10.1007/s00894-018-3825-2
https://doi.org/10.1007/s00894-018-3825-2