Search Result "DFTcalculations."
Syntheses and Spectroscopic Characterization of Selected MethylQuinolinylphosphonic and Quinolinylphosphinic Acids; Rationalized based on DFTCalculation
Journal: Current Organic Chemistry
Volume: 28 Issue: 7 Year: 2024 Page: 545-557
Author(s): Jacek E. Nycz,Jan G. MaÅecki
Foreword
Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Sugriva Nath Tiwari
Doi: 10.2174/9789814998369121010001
Aza-Diels-Alder Reaction Between 1,2-Diaza-1,3-dienes and β-Aryl-α,β-unsaturated Carbonyl Compounds. Easy One-pot Entry to 2â-Oxo-imidazo[1â,5â- f]tetrahydropyridazine
Journal: Current Organic Synthesis
Volume: 10 Issue: 6 Year: 2013 Page: 951-960
Author(s): Orazio A. Attanasi,Luca Bianchi,Maurizio DâAuria,Gianfranco Favi,Fabio Mantellini,Rocco Racioppi
α-Ketophosphonates in the Synthesis of α-iminophosphonates
Journal: Current Green Chemistry
Volume: 7 Issue: 2 Year: 2020 Page: 226-238
Author(s): Petro P. Ony`sko,Tetyana I. Chudakova,Vladimir V. Pirozhenko,Alexandr B. Rozhenko
Synthesis of Some New Heterocyclic Azo Dyes Derived from 2-amino-3-cyano-4.6- diarylpyridines and Investigation of its Absorption Spectra and Stability using the DFT
Journal: Current Organic Synthesis
Volume: 18 Issue: 5 Year: 2021 Page: 506-516
Author(s): El-Sayed M. Abdelrehim
Inter- and Intra-Molecular Interactions by Quantum Theory of Atoms in Molecule
Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010009
Applications of ILs as Catalysts in the Reaction to Obtain Alkylate Gasoline
Ebook: Applications of Ionic Liquids in the Oil Industry: Towards A Sustainable Industry
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815079579123010011
Some Medicinal Chemistry Applications of the QSAR/QSPR Theory
Ebook: Advanced Pharmacy
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815049428123010005
Theoretical Investigation on the Mechanistic Pathways of Cp*Cobalt(III)-Catalyzed Transformation of N-Substituted Carbamoyl Indoles toPyrroloindolone Derivatives
Journal: Current Indian Science
Volume: 1 Issue: 1 Year: 2023 Page: 1-8
Author(s): Gourab Kanti Das
Applications of DFT on Molecular Systems: How Gaussian Works
Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010004