Search Result "frontier molecular orbital (FMO) theory"
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
Frontier Molecular Orbital Approach to the Cycloaddition Reactions
Ebook: Frontiers in Computational Chemistry
Volume: 5 Year: 2020
Author(s): Anjandeep Kaur
Doi: 10.2174/9789811457791120050008
Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry
Ebook: Frontiers in Computational Chemistry
Volume: 5 Year: 2020
Author(s): Luis R. Domingo,Nivedita Acharjee
Doi: 10.2174/9789811457791120050007
Molecular Docking, Topological Analysis and Vibrational Studies on N-(2-Bromoethyl) Succinimide: Antidepressant Agent
Journal: Letters in Organic Chemistry
Volume: 18 Issue: 10 Year: 2021 Page: 797-811
Author(s): Aslı EÅme
The Study of Interaction of Melphalan with SWCNT- BNNT ThroughForce Fields Molecular Mechanics and Quantum Calculations in DifferentSolvents and Temperatures
Journal: Letters in Organic Chemistry
Volume: 20 Issue: 7 Year: 2023 Page: 657-671
Author(s): Mohammad Hassan Jamshidi
New Hydrazide-hydrazone Derivatives of Quinoline 3-Carboxylic Acid Hydrazide: Synthesis, Theoretical Modeling and Antibacterial Evaluation
Journal: Letters in Organic Chemistry
Volume: 16 Issue: 5 Year: 2019 Page: 430-436
Author(s): Ihsan Shabeeb,Luay Al-Essa,Majed Shtaiwi,Eveen Al-Shalabi,Eyad Younes,Rouzi Okasha,Mohammad Abu Sini
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
A Computational Study of the Conformational Behavior of 2,5-Dimethyl- 1,4-dithiane-2,5-diol and Analogous S and Se: DFT and NBO Study
Journal: Letters in Organic Chemistry
Volume: 17 Issue: 10 Year: 2020 Page: 749-759
Author(s): Elmira Danaie,Shiva Masoudi,Nasrin Masnabadi
Experimental and Theoretical Approach to Novel Polyfunctionalized Isoxazole
Journal: Current Organic Chemistry
Volume: 25 Issue: 7 Year: 2021 Page: 849-856
Author(s): Amal Al-Azmi,Mona A. Shalaby
Predicting the Adsorption Behavior of 6-mercaptopurine Anticancer Drugupon Polyoxazoline Nanocarrier: A Theoretical Study
Journal: Letters in Organic Chemistry
Volume: 20 Issue: 12 Year: 2023 Page: 1151-1158
Author(s):