Search Result "LUMO activation"
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
Structure-Activity Relationships of 2-Benzylsulfanylbenzothiazoles: Synthesis and Selective Antimycobacterial Properties
Journal: Medicinal Chemistry
Volume: 8 Issue: 2 Year: 2012 Page: 281-292
Author(s): Vera Klimesova, Jan Koci, Karel Palat, Jirina Stolarikova, Hans-Martin Dahse, Ute Mollmann
Catalytic Effect of Organoaluminium Chloride Reagents on the Dienophilic Reactivity of Indolizine and 2-Phosphaindolizine towards [2+4] Cycloaddition: A DFT Investigation
Journal: Current Catalysis
Volume: 1 Issue: 2 Year: 2012 Page: 93-99
Author(s): Neelima Gupta,Rajendra K. Jangid,Raj K. Bansal,Moritz von Hopffgarten
Quantum Mechanical Modeling of N4-(2, 5-Disubstituted phenyl) Semicarbazones: Synthesis and Anticonvulsant Activity of N4-(2, 5-dimethylphenyl/ -2-fluoro-5-methyl phenyl) Semicarbazones
Journal: Medicinal Chemistry
Volume: 2 Issue: 6 Year: 2006 Page: 617-625
Author(s): M. Shalini, P. Yogeeswari, D. Sriram, P. Kudyar, P. Roheeth Kumar, S. Induja, J. P. Stables
5-Methoxy-1-methyl-2-{[4-(2-hydroxyphenyl)piperazin-1-yl]methyl}-1Hindole (KAD22) with Antioxidant Activity
Journal: Letters in Organic Chemistry
Volume: 19 Issue: 4 Year: 2022 Page: 263-275
Author(s): Agnieszka A. Kaczor,Karolina Wojtunik-Kulesza,Tomasz M. Wróbel,Dariusz Matosiuk,Monika Pitucha
Quantum Mechanics Modeling of Oxetanes as Epoxide Hydrolase Substrates
Journal: Letters in Drug Design & Discovery
Volume: 20 Issue: 9 Year: 2023 Page: 1372-1379
Author(s):
Quantitative Structure-Activity Relationship Studies on Some Novel Anti- HIV Thiourea Derivatives with Cytotoxicity Data (CC50) in MT-4 Cells
Journal: Letters in Drug Design & Discovery
Volume: 6 Issue: 3 Year: 2009 Page: 193-200
Author(s): Ke-Xian Chen, Zu-Guang Li, Hai-Ying Xie, Jian-Rong Gao
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 Dinuclear Copper(II)-Hydrazone Complex: Synthesis, CrystalStructure and Antibacterial Activity
Journal: Letters in Organic Chemistry
Volume: 20 Issue: 4 Year: 2023 Page: 376-387
Author(s):
Synthesis, Pharmacological Activity and Molecular Modeling of 1-Aryl-7- hydroxy-2,3-dihydroimidazo[1,2-a]pyrimidine-5(1H)-ones and their 6-Substituted Derivatives
Journal: Medicinal Chemistry
Volume: 10 Issue: 5 Year: 2014 Page: 460-475
Author(s): Marzena Rzadkowska,Elzbieta Szacon,Agnieszka A. Kaczor,Sylwia Fidecka,Ewa Kedzierska,Dariusz Matosiuk