Search Result "B3PW91"


DFT Study on Some Natural Products: Triclisine, Rufescine, and Imerubrine

Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010007

A New Index for the Estimation of the Aromatic Character - IX

Journal: Letters in Organic Chemistry
Volume: 13 Issue: 1 Year: 2016 Page: 33-43
Author(s): Maurizio D`Auria

Research Article

Studying Adsorption and Cellular Toxicity of Boron Nitride Nanostructure versus Melphalan Anti-ovarian Cancer Drug

Journal: Current Molecular Medicine
Volume: 21 Issue: 0 Year: 2021 Page: 1-8
Author(s): Min Fu,Reza Tayebee,Satar Saberi,Narjes Nourbakhsh,Effat Esmaeili,Behrooz Maleki,Hamid R. Vatanpour

Research Article

Investigation of the Adsorption Rubraca Anticancer Drug on the CNT(4,4-8) Nanotube as a Factor of Drug Delivery: A Theoretical Study Based on DFT Method

Journal: Current Molecular Medicine
Volume: 19 Issue: 7 Year: 2019 Page: 473-486
Author(s): Masoome Sheikhi,Siyamak Shahab,Mehrnoosh Khaleghian,Mahin Ahmadianarog,Fatemeh Azarakhshi,Rakesh Kumar

Research Article

Absolute Configuration and Antileishmanial Activity of (–)-CyclocolorenoneIsolated from Duguetia lanceolata (Annonaceae)

Journal: Current Topics in Medicinal Chemistry
Volume: 22 Issue: 19 Year: 2022 Page: 1626-1633
Author(s): Luiz Felipe D. Passero,Jéssica A. Jesus,Márcia D. Laurenti,João H. G. Lago,Marisi G. Soares,Andrea N. L. Batista,João M. Batista

5-Aminouracil as Effective Inhibitor of Peroxyl Radicals. Experimental and Theoretical Studies

Journal: Current Organic Chemistry
Volume: 16 Issue: 11 Year: 2012 Page: 1447-1452
Author(s): Stanislav A. Grabovskiy,Irina G. Konkina,Yuri I. Murinov,Natalia N. Kabal’nova

Peroxidase Activity of Organic Selenides: Mechanistic Insights from Quantum Chemistry

Journal: Current Organic Chemistry
Volume: 20 Issue: 2 Year: 2016 Page: 189-197
Author(s): Lando P. Wolters,Laura Orian

An Approach to the Aromaticity Based on the Energy of the Occupied π Orbitals

Journal: Current Organic Chemistry
Volume: 20 Issue: 9 Year: 2016 Page: 971-983
Author(s):

Determination of Absolute Configuration of Natural Products: Theoretical Calculation of Electronic Circular Dichroism as a Tool

Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1678-1697
Author(s): Xing-Cong Li, Daneel Ferreira, Yuanqing Ding

Axial D3-trishomocubane Derivatives with Potential: Dreams or Reality?

Journal: Current Organic Chemistry
Volume: 16 Issue: 22 Year: 2012 Page: 2623-2651
Author(s): Dmitry I. Sharapa,Igor A. Levandovskiy,Tatyana E. Shubina

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