Search Result "Highest occupied molecular orbital (HOMO)"
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): LetÃcia S. Braga,Daniel H. S. Leal,Kamil Kuca,Teodorico C. Ramalho
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
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
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
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
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
Quantitative Structure Activity Relationship Studies of Sulfamide Derivatives as Carbonic Anhydrase Inhibitor: As Antiglaucoma Agents
Journal: Medicinal Chemistry
Volume: 3 Issue: 4 Year: 2007 Page: 379-386
Author(s): Surendra Kumar, Vineet Singh, Meena Tiwari
Computational Chemistry for Photosensitizer Design and Investigation of DNA Damage
Ebook: Frontiers in Computational Chemistry
Volume: 2 Year: 2015
Author(s): Kazutaka Hirakawa
Doi: 10.2174/9781608059782115020004
Geometry Optimization, UV/Vis, NBO, HOMO and LUMO, Excited State and Antioxidant Evaluation of Pyrimidine Derivatives
Journal: Letters in Organic Chemistry
Volume: 18 Issue: 6 Year: 2021 Page: 465-476
Author(s): Siyamak Shahab,Masoome Sheikhi,Evgeni Kvasyuk,Aliaksei G. Sysa,Radwan Alnajjar,Aleksandra Strogova,Kseniya Sirotsina,Hanna Yurlevich,Darya Novik