Search Result "Natural bond orbital analysis"
Structure and Bonding
Ebook: Basics of Organic Chemistry: A Textbook for Undergraduate Students
Volume: 1 Year: 2024
Author(s):
Doi: 10.2174/9789815223224124010003
Molecular Conformational Analysis, Spectroscopic Characterization, Intramolecular Hydrogen Bonding and Natural Bond Analysis of (E,Z)-2-(4- Amino-5-oxo-3-(thiophene-2-ylmethyl)-4,5-dihydro-1,2,4-triazole-1-yl)-N'- (thiophene-2-ylmethylene) Acetohydrazide
Journal: Letters in Organic Chemistry
Volume: 16 Issue: 3 Year: 2019 Page: 215-225
Author(s): Abdurrahman Atalay,Fatih Ãelik,Yasemin Ãnver,Kemal Sancak,Kamil Kaygusuz
Effect of the Intramolecular Hydrogen Bond on the Active Metabolite Analogs of Leflunomide for Blocking the Plasmodium falciparum Dihydroorotate Dehydrogenase Enzyme: QTAIM, NBO, and Docking Study
Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 3 Year: 2021 Page: 480-491
Author(s): Reihaneh Heidarian,Mansoureh Zahedi-Tabrizi
Localization and Localizability in Quantum Organic Chemistry: Localized Orbitals and Localization Functions
Journal: Current Organic Chemistry
Volume: 15 Issue: 2 Year: 2011 Page: 3555-3565
Author(s): Bernard Silvi, Peter Reinhardt
Effect of Molecular Hardness on Ionic Characters, Bond Lengths, Bond Force Constants and Melting Points of Alkali Halides
Journal: Current Physical Chemistry
Volume: 7 Issue: 2 Year: 2017 Page: 159-164
Author(s): Savas Kaya,Cemal Kaya,Ilkay UÄurlu
DFT Study of Nanotubes as the Drug Delivery Vehicles for an AnticancerDrug
Journal: Letters in Organic Chemistry
Volume: 21 Issue: 8 Year: 2024 Page: 655-668
Author(s):
Understanding the Bond Formation in Hetero-Diels-Alder Reactions. An ELF Analysis of the Reaction of Nitroethylene with Dimethylvinylamine
Journal: Current Organic Chemistry
Volume: 16 Issue: 1 Year: 2012 Page: 2343-2351
Author(s): Luis R. Domingo, Patricia Perez, M. Jose Aurell, Jose A. Saez
Intramolecular Electron Transfer: Computational Study Based on the Orbital Deletion Procedure (ODP)
Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 779-790
Author(s): Yirong Mo
Theoretical Study and Principal Component Analysis of Focal Adhesion Kinase Inhibitors
Journal: Current Physical Chemistry
Volume: 5 Issue: 4 Year: 2015 Page: 337-346
Author(s):
Transient Expression of Recombinant sPDGFRα-Fc in CHO DG44 Cells using 50-mL Orbitally Shaking Disposable Bioreactors
Journal: Protein & Peptide Letters
Volume: 17 Issue: 7 Year: 2010 Page: 919-924
Author(s): Yun-Xia Sang, Xiao-Wei Zhang, Xiao-Jia Chen, Kui Xie, Chui-Wen Qian, An Hong, Qiu-Ling Xie, Sheng Xiong