Search Result "Ab initio DFT calculation of the UV-Vis spectra"
Synthesis, Conformational Analysis, Infrared, Raman and UV-Visible Spectra of Novel Schiff Bases compiled with DFT Calculations
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 23 Issue: 7 Year: 2020 Page: 568-586
Author(s): Samy M. Ahmed,Ibrahim A. Shaaban,Elsayed H. El-Mossalamy,Tarek A. Mohamed
Cathodic and Photocatalytic Reduction of Nitroquinolones Investigated by In Situ EPR/UV-Vis Spectroelectrochemistry and EPR spectroscopy
Journal: Current Organic Chemistry
Volume: 17 Issue: 21 Year: 2013 Page: 2427-2439
Author(s): Karol Luspai,Zuzana Barbieriková,Michal Malcek,Lukás Bucinsky,Andrej Stasko,Maros Bella,Viktor Milata,Peter Rapta,Vlasta Brezová
Applications of Density Functional Theory (DFT) to Investigate the Structural, Spectroscopic and Magnetic Properties of Lanthanide(III) Complexes
Journal: Current Inorganic Chemistry
Volume: 1 Issue: 1 Year: 2011 Page: 91-116
Author(s): Carlos Platas-Iglesias, Adrian Roca-Sabio, Martin Regueiro-Figueroa, David Esteban-Gomez, Andres de Blas, Teresa Rodriguez-Blas
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
Selective Photocatalytic Oxidation Of Benzyl Amine By O2 Into N-Benzylidenebenzylamine on Tio2 Using Visible Light
Journal: Current Organic Chemistry
Volume: 17 Issue: 21 Year: 2013 Page: 2374-2381
Author(s): Shinya Higashimoto,Yoshiaki Hatada,Ryo Ishikawa,Masashi Azuma,Yoshihisa Sakata,Hisayoshi Kobayashi
Peculiar Sequence of the Thermodynamic Protonation Parameters for Bis-Chelate Ligands with Methylhydroxyiminoethanamide Moieties
Journal: Current Inorganic Chemistry (Discontinued)
Volume: 5 Issue: 2 Year: 2015 Page: 83-97
Author(s): Igor Vasyl Nikolayenko,Jonathan Raymond Barry,Ashwin Manival,Thomas-John Theron,Craig Grimmer
DFT Study on Some Natural Products: Triclisine, Rufescine, and Imerubrine
Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010007
Absolute Configuration Determination by Quantum Mechanical Calculation of Chiroptical Spectra: Basics and Applications to Fungal Metabolites
Journal: Current Medicinal Chemistry
Volume: 25 Issue: 2 Year: 2018 Page: 287-320
Author(s): Stefano Superchi,Patrizia Scafato,Marcin Gorecki,Gennaro Pescitelli
Determination of Absolute Configuration of Natural Products: Theoretical Calculation of Electronic Circular Dichroism as a Tool
Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1678-1697
Author(s): Xing-Cong Li, Daneel Ferreira, Yuanqing Ding
The Syntheses, Molecular Structures, Spectroscopic Properties (IR, Microâ Raman, NMR and UVâvis) and DFT Calculations of Antioxidant 3â alkylâ4â[3âmethoxyâ4â(4âmethylbenzoxy)benzylidenamino]â4,5âdihydroâ 1Hâ1,2,4âtriazolâ5âone Molecules
Journal: Letters in Organic Chemistry
Volume: 10 Issue: 6 Year: 2013 Page: 395-441
Author(s): Halil Gokce,Semiha Bahceli,Onur Akyildirim,Haydar Yuksek,Ozlem Gursoy Kol