Application of DFT concepts to the study of the chemical reactivity of some resveratrol derivatives through the assessment of the validity of the “Koopmans in DFT” (KID) procedure

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Application of DFT concepts to the study of the chemical reactivity of some resveratrol derivatives through the assessment of the validity of the “Koopmans in DFT” (KID) procedure

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im Februar 2017 veröffentlichter wissenschaftlicher Artikel

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wetenschappelijk artikel

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наукова стаття, опублікована в лютому 2017

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Application of DFT concepts to ...... opmans in DFT” (KID) procedure

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Application of DFT concepts to ...... idity of the “Koopmans in DFT”

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Application of DFT concepts to ...... opmans in DFT” (KID) procedure

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Application of DFT concepts to ...... idity of the “Koopmans in DFT”

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Application of DFT concepts to ...... opmans in DFT” (KID) procedure

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Application of DFT concepts to ...... idity of the “Koopmans in DFT”

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P1476

Application of DFT concepts to ...... opmans in DFT” (KID) procedure

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Daniel Glossman-Mitnik

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Francisco Muñoz

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Juan Frau

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P2860

Piceid, the major resveratrol derivative in grape juices

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A comparison of the chemical reactivity of naringenin calculated with the M06 family of density functionals.

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Computational nanochemistry report on the oxicams--conceptual DFT indices and chemical reactivity.

Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics.

Accurate Coulomb-fitting basis sets for H to Rn.

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1750006

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scholarly article

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10.1142/S0219633617500067

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2017-02-01T00:00:00Z

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