Search Result "GIAO"
Organic Synthesis of Iodinated Atorvastatin via Nucleophilic Substitution Reaction: Experimental and DFT Studies
Journal: Current Organic Chemistry
Volume: 22 Issue: 20 Year: 2018 Page: 2017-2022
Author(s): Moustapha Eid Moustapha,Mohammed Geesi,Zeinab R. Farag,El Hassane Anouar
An Improved, Efficient and Microwave Assisted Synthetic Method for the Synthesis of Chalcone Oximes: An Experimental and Computational Study
Journal: Letters in Organic Chemistry
Volume: 15 Issue: 2 Year: 2018 Page: 99-110
Author(s): Taner Erdogan,Fatma Oguz Erdogan
Regioselective IED Diels-Alder Reaction of Bis-(4,6-dichloro-[1,3,5]triazin- 2-yl)-diazene with Furan and Its Molecular Mechanism
Journal: Letters in Organic Chemistry
Volume: 17 Issue: 8 Year: 2020 Page: 639-644
Author(s): Andrew Karkhut,Sviatoslav Polovkovych,Roman Lesyk,Volodymyr Novikov
Synthesis of Novel Pyridinium Betaine Precursors from exo-Norbornene Dicarboximides
Journal: Letters in Organic Chemistry
Volume: 8 Issue: 4 Year: 2011 Page: 249-257
Author(s): Julia V. Hernandez-Madrigal, Armando Pineda-Contreras, Oscar F. Vazquez-Vuelvas, Mikhail A. Tlenkopatchev, Hector Garcia-Ortega, Ruben Gavino-Ramirez, Zeferino Gomez-Sandoval
A Comprehensive DFT Study on a Thione Compound and its Tautomer
Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010008
Theoretical and Spectroscopic Characterization of API-Related Azoles in Solution and in Solid State
Journal: Current Pharmaceutical Design
Volume: 26 Issue: 38 Year: 2020 Page: 4847-4857
Author(s): Marta MarÃn-Luna,Rosa M. Claramunt,José Elguero,Ibon Alkorta
Electrophilic Aromatic Synthesis of Radioiodinated Aripiprazole: Experimental and DFT Investigations
Journal: Current Organic Synthesis
Volume: 17 Issue: 4 Year: 2020 Page: 295-303
Author(s): Moustapha E. Moustapha,Mohammed H. Geesi,Zeinab R. Farag,El Hassane Anouar
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
Synthesis, Antifungal Evaluation of 3-[{(1-aminomethyl) -5,7-dimethyl-2-oxoindolin-3-ylidene} amino]-2-phenylquinazolin-4(3H)-ones and theirNLO, MESP, Global Reactivity Descriptor, and AIM Study through DFTApproach
Journal: Letters in Organic Chemistry
Volume: 20 Issue: 4 Year: 2023 Page: 326-336
Author(s): Aniruddh Prasad Chaudhary,Sudhir Kumar Srivastava
Application of Electron Delocalization Indicators in the Study of Electrophilic Aromatic Substitution Reactions
Journal: Current Organic Chemistry
Volume: 15 Issue: 2 Year: 2011 Page: 3627-3651
Author(s): Marco Garcia-Revilla, Tomas Rocha-Rinza