Growing Science » Tags cloud » DFT
Authors: Shahin Sultana, Md Ahad Hossain, Md Mazherul Islam, Sarkar M. A. Kawsar
Keywords: DFT, ADMET, Molecular docking, Pharmacokinetics, Antimicrobial, Passenger Trust
Journal: CCL | Year: 2024 | Volume: 13 | Issue: 1 | Views: 295 | Reviews: 0
Authors: Latifa Amini, El Hassan El Karni, Mustapha Oubenali, Hayat El Ouafy, Mohamed Mbarki, Brahim El Ouadi
Keywords: Methylene Blue, Methyl Red, UV-Visible spectrum, DFT, OPV
Journal: CCL | Year: 2024 | Volume: 13 | Issue: 1 | Views: 229 | Reviews: 0
Authors: Hayat EL Ouafy, Mouna Aamor, Latifa Amini, Mustapha Oubenali, Mohamed Mbarki, Aziz EL Haimouti, Tarik EL Ouafy
Keywords: Dopamine, DFT, MP2, RMN, Chemical Descriptor
Journal: CCL | Year: 2022 | Volume: 11 | Issue: 3 | Views: 405 | Reviews: 0
Authors: Hayat EL Ouafy, Mouna Aamor, Mustapha Oubenali, Mohamed Mbarki, Aziz EL Haimouti, Tarik EL Ouafy
Keywords: Ortho-hydroxybenzoic acid, Meta-hydroxybenzoic acid, Para-hydroxybenzoic acid, DFT, Chemical descriptor
Journal: CCL | Year: 2022 | Volume: 11 | Issue: 2 | Views: 650 | Reviews: 0
Authors: Izabela Czekaj, Natalia Sobuś
Keywords: Lactic acid, Acrylic acid, Beta zeolite, DFT, Dehydration, Biomass
Journal: CCL | Year: 2019 | Volume: 8 | Issue: 4 | Views: 1461 | Reviews: 0
Authors: Katarzyna Kapłon, Oleg M. Demchuk, K. M. Pietrusiewicz
Keywords: Activation energy, Atropisomeric compound, Biaryls, DFT, Racemisation half-time, Racemisation path, Rotation barrier
Journal: CCL | Year: 2015 | Volume: 4 | Issue: 4 | Views: 2093 | Reviews: 0
Authors:
Keywords: X-ray, 5-(2-6-Diisopropylphenoxy)-(1H)- tetrazole, DFT, H-bond, NMR, Rotation barrier
Journal: CCL | Year: 2014 | Volume: 3 | Issue: 2 | Views: 2343 | Reviews: 0
Authors: Shahriar Ghammamy, Sadjad Sedaghat
Keywords: Aluminate, DFT, Frequency, Ionic liquid, Room temperature
Journal: CCL | Year: 2012 | Volume: 1 | Issue: 4 | Views: 2170 | Reviews: 0
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