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Computational nanochemistry study of the molecular structure and properties of ethambutol

Salgado, Guillermo; Ruiz, Samuel; Gerli Candia, Lorena; Flores, Norma; Favila, Alejandra; Glossman, Daniel (Springer, 2015)

Computational nanochemistry study of the molecular structure and properties of ethambutol

Salgado, Guillermo; Ruiz, Samuel; Gerli Candia, Lorena; Flores, Norma; Favila, Alejandra; Glossman, Daniel (Springer, 2015)

Assessment of a set of twelve density functionals to estimate the global reactivity of myricetin through the Koopmans’ theorem

Sandoval-Yañez C.; Martínez-Araya J.I. (Elsevier B.V., 2019)

Unraveling polar Diels-Alder reactions with conceptual DFT analysis and the distortion/interaction model

Sarotti, Ariel Marcelo (Royal Society of Chemistry, 2014-01)

The reaction energetics of 280 polar Diels–Alder (DA) reactions between 70 dienophiles and 4 dienes have been studied in detail using the B3LYP/6-31G* level of theory, combining conceptual density functional theory (DFT) ...

Natural Carotenoids as Nanomaterial Precursors for Molecular Photovoltaics: A Computational DFT StudyNatural Carotenoids as Nanomaterial Precursors for Molecular Photovoltaics: A Computational DFT Study

MARIO DANIEL GLOSSMAN MITNIK; NORMA ROSARIO FLORES HOLGUIN; TERESITA DE JESUS RUIZ ANCHONDO (2010)

Natural Carotenoids as Nanomaterial Precursors for Molecular Photovoltaics: A Computational DFT StudyNatural Carotenoids as Nanomaterial Precursors for Molecular Photovoltaics: A Computational DFT Study

MARIO DANIEL GLOSSMAN MITNIK; NORMA ROSARIO FLORES HOLGUIN; TERESITA DE JESUS RUIZ ANCHONDO (2010)

ELECTROCHEMISTRY: COMPUTATIONAL AND CONCEPTUAL DFT

Universidad Andres Bello (2010)

Mecanismo de Reacciones Químicas Mediante el Uso de DFT Conceptual

Pontificia Universidad Católica de Chile; Universidad de Paraná; ENS de Lyon (2011)

ELECTROCHEMISTRY: COMPUTATIONAL AND CONCEPTUAL DFT

Unknown author (2014)

Revisiting caffeate's capabilities as a complexation agent to silver cation in mining processes by means of the dual descriptor-a conceptual dft approach

Unknown author (SPRINGER, 2012)

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Computational nanochemistry study of the molecular structure and properties of ethambutol

Computational nanochemistry study of the molecular structure and properties of ethambutol

Assessment of a set of twelve density functionals to estimate the global reactivity of myricetin through the Koopmans’ theorem

Unraveling polar Diels-Alder reactions with conceptual DFT analysis and the distortion/interaction model

Natural Carotenoids as Nanomaterial Precursors for Molecular Photovoltaics: A Computational DFT StudyNatural Carotenoids as Nanomaterial Precursors for Molecular Photovoltaics: A Computational DFT Study

Natural Carotenoids as Nanomaterial Precursors for Molecular Photovoltaics: A Computational DFT StudyNatural Carotenoids as Nanomaterial Precursors for Molecular Photovoltaics: A Computational DFT Study

ELECTROCHEMISTRY: COMPUTATIONAL AND CONCEPTUAL DFT

Mecanismo de Reacciones Químicas Mediante el Uso de DFT Conceptual

ELECTROCHEMISTRY: COMPUTATIONAL AND CONCEPTUAL DFT

Revisiting caffeate's capabilities as a complexation agent to silver cation in mining processes by means of the dual descriptor-a conceptual dft approach