Sadegh Kaviani
Ferdowsi University of Mashhad
H-index: 13
Asia-Iran
Top articles of Sadegh Kaviani
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Theoretical design of transition metal-doped oxo-triarylmethyl as a disposable platform for adsorption of ibuprofen | Journal of Molecular Graphics and Modelling | Sadegh Kaviani Mohammad Khajavian Irina Piyanzina Oleg V Nedopekin Dmitrii A Tayurskii | 2024/1/1 |
A DFT-based design of B/N/P-co-doped oxo-triarylmethyl as a robust anode material for magnesium-ion batteries | Journal of Power Sources | Sadegh Kaviani Irina Piyanzina Oleg V Nedopekin Dmitrii A Tayurskii Rezvan Rahimi | 2024/6/1 |
Investigation of adsorption behavior of penicillamine anticancer drug upon B12P12, Ga12P12, and B6Ga6P12 fullerene-like nano-cages: A DFT insight | Computational and Theoretical Chemistry | Mehrnoosh Khaleghian Masoome Sheikhi Siyamak Shahab Sadegh Kaviani | 2024/4/28 |
A DFT study on the potential application of metal-encapsulated B12N12 nanocage for efficient removal of gemifloxacin in aqueous medium | Computational and Theoretical Chemistry | Zahra Mashak Shabavi Ehsan Shakerzadeh Tarun Yadav Elham Tahmasebi Sadegh Kaviani | 2024/3/2 |
Chitosan-based adsorptive membrane modified by carboxymethyl cellulose for heavy metal ion adsorption: Experimental and density functional theory investigations | International Journal of Biological Macromolecules | Mohammad Khajavian Sadegh Kaviani Irina Piyanzina Dmitrii A Tayurskii Oleg V Nedopekin | 2024/2/1 |
Zn-decorated S, P, B co-doped C2N nanosheet for ibuprofen adsorption: Experimental and density functional theory calculation | Colloids and Surfaces A: Physicochemical and Engineering Aspects | Mohammad Khajavian Sadegh Kaviani Irina Piyanzina Dmitrii A Tayurskii Oleg V Nedopekin | 2024/1/5 |
Amide-functionalized g-C3N4 nanosheet for the adsorption of arsenite (As3+): Process optimization, experimental, and density functional theory insight | Colloids and Surfaces A: Physicochemical and Engineering Aspects | Mohammad Khajavian Sadegh Kaviani Irina Piyanzina Dmitrii A Tayurskii Oleg V Nedopekin | 2024/6/5 |
A novel analytical, bioanalytical and theoretical approach to the platinum (II)-3-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one complex | Results in Chemistry | Masrat Mohmad Nivedita Agnihotri Vikas Kumar Ujjawal Sharma Rakesh Kumar | 2023/1/1 |
First-principles outlook of two-dimensional B3O3 monolayer as an anode material for non-lithium ion (K+, Ca2+, and Al3+) batteries | Computational and Theoretical Chemistry | Sadegh Kaviani Irina Piyanzina Oleg V Nedopekin Dmitrii A Tayurskii | 2023/10/1 |
Predicting adsorption behavior of Triacanthine anticancer drug with pure B12N12 nano-cage: A theoretical study | Journal of the Indian Chemical Society | Hooriye Yahyaei Masoome Sheikhi Fatemeh Azarakhshi Mahin Ahmadianarog Sadegh Kaviani | 2023/1/1 |
DFT, molecular docking and ADME prediction of tenofovir drug as a promising therapeutic inhibitor of SARS-CoV-2 M pro | Main Group Chemistry | Siyamak Shahab Masoome Sheikhi Maksim Khancheuski Hooriye Yahyaei Hora Alhosseini Almodarresiyeh | 2023/1/1 |
A DFT-D3 investigation on Li, Na, and K decorated C6O6Li6 cluster as a new promising hydrogen storage system | International Journal of Hydrogen Energy | Sadegh Kaviani Irina Piyanzina Oleg V Nedopekin Dmitrii A Tayurskii | 2023/9/8 |
Theoretical Approach Using DFT Calculations of Novel Oxime Derivatives | Siyamak Shahab Masoome Sheikhi Khadijeh Shekoohi Sadegh Kaviani Abolfazl Shiroudi | 2023 | |
Single and binary heavy metal adsorption using alginic acid structure: Experimental and density functional theory investigations | Journal of Water Process Engineering | Mohammad Khajavian Sadegh Kaviani Irina Piyanzina Dmitrii A Tayurskii Oleg V Nedopekin | 2023/8/1 |
Quantum chemical modeling, synthesis, spectroscopic (FT-IR, excited states, UV/VIS) studies, FMO, QTAIM, ELF, LOL, NBO, NLO and QSAR analyses of nelarabine | Journal of Molecular Structure | Erfu Huo Siyamak Shahab Sultan Al Saud Weiqin Cheng Peng Lu | 2021/11/5 |
Synthesis, DFT, Spectroscopic Studies and Electronic Properties of Novel Arginine Derivatives | Russian Journal of Physical Chemistry B | HA Almodarresiyeh S Shahab S Kaviani ZI Kuvaeva HG Karankevich | 2023/2 |
Dft calculations and in silico study of chlorogenic, ellagic and quisqualic acids as potential inhibitors of SARS-CoV-2 main protease mpro | Siyamak Shahab Sadegh Kaviani Masoome Sheikhi Hora Alhosseini Almodarresiyeh Sultan Al Saud | 2022 | |
Synthesis, DFT study and bioactivity evaluation of new butanoic acid derivatives as antiviral agents | Hora Alhosseini Almodarresiyeh Siyamak Shahab Sadegh Kaviani Masoome Sheikhi Dina V Lopatik | 2022 | |
DFT Study on the Interaction of Lenalidomide Anticancer Drug on the Surface of B12N12 Nanocluster | Letters in Organic Chemistry | Shamsa Sharifi Masoome Sheikhi Siyamak Shahab Sadegh Kaviani Rakesh Kumar | 2022/7/1 |
Adsorption behavior and sensing properties of toxic gas molecules onto PtnBe (n= 5, 7, 10) clusters: A DFT benchmark study | Materials Today Communications | Sadegh Kaviani Irina I Piyanzina Oleg V Nedopekin Dmitrii A Tayurskii | 2022/12/1 |
Co-Authors
