Search Result "higher occupied molecular orbital (HOMO)"

Review Article

Perspectives on the Role of the Frontier Effective-for-Reaction Molecular Orbital (FERMO) in the Study of Chemical Reactivity: An Updated Review

Journal: Current Organic Chemistry
Volume: 24 Issue: 3 Year: 2020 Page: 314-331
Author(s): Letícia S. Braga,Daniel H. S. Leal,Kamil Kuca,Teodorico C. Ramalho

Review Article

Oleuropein: Molecular Dynamics and Computation

Journal: Current Medicinal Chemistry
Volume: 24 Issue: 39 Year: 2017 Page: 4315-4328
Author(s): Luigi Gentile,Nicola A. Uccella,Ganapathy Sivakumar

Structural and Electronic Characteristics of a Series of Glycosidase Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 4 Issue: 8 Year: 2007 Page: 587-595
Author(s): R. D. Anderson, M. C. Milletti

Quantitative Structure-Activity Relationships for Commercially Available Inhibitors of COX-2

Journal: Medicinal Chemistry
Volume: 4 Issue: 2 Year: 2008 Page: 110-115
Author(s): M. Doble, P. M. Sivakumar

Synthesis, Antimicrobial, Anticancer Evaluation of 2-(aryl)-4- Thiazolidinone Derivatives and their QSAR Studies

Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 11 Year: 2015 Page: 990-1002
Author(s): Aakash Deep,Pradeep Kumar,Balasubramanian Narasimhan,Kalavathy Ramasamy,Vasudevan Mani,Rakesh Kumar Mishra,Abu Bakar Abdul Majeed

Substituted Naphthalen-1-yl-Acetic Acid Hydrazides: Synthesis, Antimicrobial Evaluation and QSAR Analysis

Journal: Medicinal Chemistry
Volume: 9 Issue: 2 Year: 2013 Page: 249-274
Author(s): Rakesh Narang,Balasubramanian Narasimhan,Sunil Sharma,Erik De Clercq,Christophe Pannecouque,Jan Balzarini

Band Assignment in Hemoglobin Porphyrin Ring Spectrum: Using Four-Orbital Model of Gouterman

Journal: Protein & Peptide Letters
Volume: 17 Issue: 4 Year: 2010 Page: 473-479
Author(s): Mohammad Reza Dayer, Ali Akbar Moosavi-Movahedi, Mohammad Saaid Dayer

Classical QSAR Study on Chromene Derivatives as Lanosterol 14α -Demethylase Inhibitor: A Non Azole Antifungal Target

Journal: Medicinal Chemistry
Volume: 2 Issue: 4 Year: 2006 Page: 363-367
Author(s): S. G. Kaskhedikar, M. A. Babu, M. Lakshmi, P. Vasanthanathan

QSAR of Chalcones Utilizing Theoretical Molecular Descriptors

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 2 Year: 2015 Page: 184-193
Author(s): Sisir Nandi,Manish C. Bagchi

Research Article

Spectral Investigations, Molecular Interactions and Electrochemical Studies of (2R)-(-) 2-(2, 6-dimethylphenylaminocarbonyl)-1-methyl piperidinium chloride

Journal: Current Drug Therapy
Volume: 15 Issue: 4 Year: 2020 Page: 358-368
Author(s): J. Deva Anban,J.Sharmi Kumar,C. James,Sayantan Pradhan

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