Search Result "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

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

Research Article

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 Çelik,Yasemin Ünver,Kemal Sancak,Kamil Kaygusuz

Paramagnetism in Metal-Metal Bonded Paddlewheel Complexes

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 3 Issue: 2 Year: 2013 Page: 112-143
Author(s): Elizabeth A. Hillard

Research Article

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

Review Article

Recent Advances in Halogen Bond-assisted Organic Synthesis

Journal: Current Organic Chemistry
Volume: 24 Issue: 18 Year: 2020 Page: 2118-2152
Author(s): Shigeyuki Yamada,Tsutomu Konno

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

Research Article

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 Uğurlu

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

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

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