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DFT analysis

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3 results in Keywords: DFT analysis

Theoretical and Computational Chemistry

Energizing Listless Pyrimidines by Pre-Distortion for the General Synthesis of 7-Aza-Indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions

Vincent Le Fouler, yu Chen, Vincent Gandon, Vincent Bizet, Christophe Salomé, Thomas Fessard, Fang Liu, K. N. Houk, Nicolas Blanchard

Version 1 posted 06 June 2019

751

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Organic Chemistry

De-epimerizing DyKAT of β-Lactones Generated by Isothiourea-Catalysed Enantioselective [2+2] Cycloaddition

Aífe Conboy, Alister Goodfellow, Kevin Kasten, Joanne Dunne, David Cordes, Michael Buehl, Andrew Smith

Version 1 posted 29 January 2024

371

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Biological and Medicinal Chemistry

Hexahydropyrrolo-[2,3-b]-indole Containing Alkaloids as a SARS-CoV-2 Inhibitors: An Integrated Multi-Target Based in-silico Approach

Debasish Mandal

Version 1 posted 08 December 2023

136

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