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DFT Calculations
3
Density Functional Theory Calculations
2
Ab-initio calculations
1
Antifungal Activity
1
Biological Products
1
COVID 19
1
Chalcones
1
Computational Chemistry
1
Cyclocondensation Reaction
1
Duff Reaction
1
Electronic structure
1
Fractional core hole
1
GIAO NMR Calculations
1
Hydrogen Bond
1
Inactivation time
1
K and L 2,3 edges
1
MP2 Calculations
1
Møller–Plesset Perturbation Theory (MP)
1
N-aryl-2-pyrazolines
1
NMR Calculations
1
Non-symmetrically Substituted Phenols
1
Ortho-formylation of Phenols
1
Ozone
1
Radiative transfer
1
SARS CoV-2
1
Substituents
1
Total Synthesis
1
UVB spectrum
1
UVI calculation
1
XANES spectra
1
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1Materias: “...UVI calculation...”
article artículo publishedVersion -
2Materias: “...DFT Calculations...”
article artículo publishedVersion -
3Materias: “...NMR Calculations...”
article artículo publishedVersion -
4por Illicachi, Luis Alberto, Montalvo-Acosta, Joel José, Insuasty, Alberto, Quiroga, Jairo, Abonia, Rodrigo, Sortino, Maximiliano, Zacchino, Susana, Insuasty, BraulioMaterias: “...Density Functional Theory Calculations...”
Publicado 2020
article artículo publishedVersion -
5por Grimblat, Nicolás, Sarotti, Ariel Marcelo, Kaufman, Teodoro Saúl, Simonetti, Sebastián OsvaldoMaterias: “...DFT Calculations...”
Publicado 2018
article artículo publishedVersion -
6Materias: “...Ab-initio calculations...”
Aportado por: Repositorio Digital Universitario (UNC)submittedVersion article