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3 articles related to "Dual Descriptor"

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Articles

Original Research

Published on 24 Mar 2022

The Dual Descriptor Reveals the Janus–Faced Behaviour of Diiodine

in Theoretical and Computational Chemistry

Jorge I. Martínez-Araya

Frontiers in Chemistry

doi 10.3389/fchem.2022.869110

2,989 views
6 citations

Original Research

Published on 16 Mar 2017

Conceptual DFT Descriptors of Amino Acids with Potential Corrosion Inhibition Properties Calculated with the Latest Minnesota Density Functionals

in Theoretical and Computational Chemistry

Juan Frau
Daniel Glossman-Mitnik

Frontiers in Chemistry

doi 10.3389/fchem.2017.00016

9,579 views
44 citations

Original Research

Published on 01 May 2018

Conceptual DFT Study of the Local Chemical Reactivity of the Colored BISARG Melanoidin and Its Protonated Derivative

in Theoretical and Computational Chemistry

Juan Frau
Daniel Glossman-Mitnik

Frontiers in Chemistry

doi 10.3389/fchem.2018.00136

9,188 views
61 citations