Search Result "Highest occupied molecular orbital"
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
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
Computational Methods and Molecular Modelling for Some Predicted Tautomers of Pyrimidine Compounds
Journal: Current Chinese Chemistry
Volume: 1 Issue: 0 Year: 2021 Page: 1-20
Author(s): Mamdouh S. Masoud,Marwa Y. Abd El-Kaway
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
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
Antimicrobial Activity and SAR Study of Some Novel Thiosemicarbazide Derivatives Bearing Piperidine Moiety
Journal: Medicinal Chemistry
Volume: 7 Issue: 6 Year: 2011 Page: 690-696
Author(s): Agata Siwek, Joanna Stefanska
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
DFT and Molecular Dynamics Simulation Studies of 4-(2-(2-(2-Chloroacetamido)phenoxy)acetamido)-3-Nitrobenzoic Acid and 4-(2-(Benzo[D]thiazol-2-ylthio)acetamido)-3-Nitrobenzoic Acid against Escherichiacoli ParE Enzyme
Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 2 Year: 2024 Page: 289-296
Author(s): Bharat Kumar Reddy Sanapalli