ℹ️
🇨🇿
Hledání
Hledat publikace relevantní k dotazu "Fukui function"
Fukui function
Publikace
Předměty
Osoby
Publikace
Studium
publication
Exploring the stability and reactivity of Ni2P and Mo2C catalysts using ab initio atomistic thermodynamics and conceptual DFT approaches
2017 |
Přírodovědecká fakulta
publication
Spectroscopic, quantum chemical studies, Fukui functions, in vitro antiviral activity and molecular docking of 5-chloro-N-(3-nitrophenyl) pyrazine-2-carboxamide
2016 |
Farmaceutická fakulta v Hradci Králové
publication
Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulations
2017 |
Farmaceutická fakulta v Hradci Králové
publication
FT-IR and FT-Raman characterization and investigation of reactive properties of N-(3-iodo-4-methylphenyl)pyrazine-2-carboxamide by molecular dynamics simulations and DFT calculations
2017 |
Farmaceutická fakulta v Hradci Králové