Search Result "QTAIM"


Research Article

A Combined Topological ELF, NCI and QTAIM Study of Mechanism and Hydrogen Bond Controlling the Selectivity of the IMDC Reaction of Nitrone-alkene Obtained from m-allyloxybenzaldehyde

Journal: Letters in Organic Chemistry
Volume: 17 Issue: 4 Year: 2020 Page: 260-267
Author(s): Fouad Chafaa,Abdelmalek Khorief Nacereddine,Abdelhafid Djerourou

Research Article

Effect of the Intramolecular Hydrogen Bond on the Active Metabolite Analogs of Leflunomide for Blocking the Plasmodium falciparum Dihydroorotate Dehydrogenase Enzyme: QTAIM, NBO, and Docking Study

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 3 Year: 2021 Page: 480-491
Author(s): Reihaneh Heidarian,Mansoureh Zahedi-Tabrizi

Inter- and Intra-Molecular Interactions by Quantum Theory of Atoms in Molecule

Ebook: Turbulent Flow and Boundary Layer Theory: Selected Topics and Solved Problems
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra

Research Article

In silico Confirmation of the More Active Player Involved in Sulpho-to-seleno Amino Acid Transformations in Mushrooms

Journal: Current Physical Chemistry
Volume: 6 Issue: 3 Year: 2016 Page: 210-223
Author(s): Alexei N. Pankratov, Olga M. Tsivileva

Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry

Ebook: Perhalopyridines: Synthesis and Synthetic Utility
Volume: 5 Year: 2020
Author(s): Luis R. Domingo,Nivedita Acharjee

Editorial [Hot Topic: Electron Delocalization in Organic Chemistry (Guest Editors: Dr. Eduard Matito and Prof. Sola)]

Journal: Current Organic Chemistry
Volume: 15 Issue: 2 Year: 2011 Page: 3554-3554
Author(s): Eduard Matito, Prof. Sola

Editorial [Hot topic: Electron Transfer, Hydrogen and Peptide Bonds (Guest Editor: Petar M. Mitrasinovic)]

Journal: Current Organic Chemistry
Volume: 14 Issue: 2 Year: 2010 Page: 89-89
Author(s): Petar M. Mitrasinovic

Pentameric models as alternative molecular targets for the design of new antiaggregant agents

Journal: Current Protein & Peptide Science
Volume: 17 Issue: 2 Year: 2016 Page: 156-168
Author(s):

Review Article

Conformational Equilibrium and Substituent Effects in Hydrogen-bonded Complexes

Journal: Current Organic Chemistry
Volume: 22 Issue: 2 Year: 2018 Page: 2182-2199
Author(s): Borys Osmialowski

Review Article

Computational Studies in Drug Design Against Cancer

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 19 Issue: 5 Year: 2019 Page: 587-591
Author(s): Baishakhi De,Koushik Bhandari,Francisco J. B. Mendonça,Marcus T. Scotti,Luciana Scotti

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