Search Result "TDDFT"
Computational Investigations on Organic Sensitizers for Dye-Sensitized Solar Cell
Journal: Current Organic Synthesis
Volume: 9 Issue: 2 Year: 2012 Page: 215-232
Author(s): Mariachiara Pastore, Edoardo Mosconi, Simona Fantacci, Filippo De Angelis
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
Nuclear Reactions and Superfluid Time Dependent Density Functional Theory
Ebook: Frontiers in Nuclear and Particle Physics
Volume: 2 Year: 2019
Author(s): Piotr Magierski
Doi: 10.2174/9781681087641119020008
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
Evaluation of Different Synthetic Routes to (2R,3R)-3-Hydroxymethyl-2-(4-hydroxy- 3-methoxyphenyl)-1,4-Benzodioxane-6-Carbaldehyde
Journal: Current Organic Chemistry
Volume: 23 Issue: 26 Year: 2019 Page: 2960-2968
Author(s): Renáta Kertiné Ferenczi,Tünde-Zita Illyés,Sándor Balázs Király,Gyula Hoffka,László Szilágyi,Attila Mándi,Sándor Antus,Tibor Kurtán
DFT Study of Interaction between Teriflunomide and β-cyclodextrin
Journal: Current Molecular Medicine
Volume: 24 Issue: 0 Year: 2024 Page: 1-15
Author(s):
Stereochemical Assingment of β -lactam Antibiotics and their Analogues by Electronic Circular Dichroism Spectroscopy
Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1022-1036
Author(s): Magdalena Woznica, Patrycja Kowalska, Robert Lysek, Marek Masnyk, Marcin Gorecki, Marcin Kwit, Filipp Furche, Jadwiga Frelek
Exciton Size and Natural Transition Orbital Investigation in Varied Graphene Forms: High Level Ab-intio Computations
Journal: Nanoscience & Nanotechnology-Asia
Volume: 8 Issue: 2 Year: 2018 Page: 229-232
Author(s): Siddheshwar Chopra
Investigation of Adsorption of Sulfanilamide Drug on Surfaces of the B12N12 and Al12N12 Fullerenes: A DFT Study
Journal: Letters in Organic Chemistry
Volume: 18 Issue: 8 Year: 2021 Page: 640-655
Author(s): Fatemeh Azarakhshi,Siyamak Shahab,Sadegh Kaviani,Masoome Sheikhi
General and Simple Method for the Synthesis of 3-nitroformazan Using Arenediazonium Tosylates
Journal: Current Organic Synthesis
Volume: 13 Issue: 4 Year: 2016 Page: 623-628
Author(s): Pavel V. Petunin, Rashid R. Valiev, Rodion G. Kalinin, Marina E. Trusova, Viktor V. Zhdankin, Pavel S. Postnikov