Dr. Devesh Kumar
Babasaheb Bhimrao Ambedkar University
H-index: 51
Asia-India
Top articles of Dr. Devesh Kumar
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Enhanced Reactivity through Equatorial Sulfur Coordination in Nonheme Iron (IV)–Oxo Complexes: Insights from Experiment and Theory | Inorganic Chemistry | Jagnyesh K Satpathy Rolly Yadav Umesh K Bagha Devesh Kumar Chivukula V Sastri | 2024/3/29 |
Theoretical prediction (DFT) and experimental observation of electronic and electro-optical properties of HATn (n= 5, 6, 7, 8) molecules for optoelectronic applications | Physica Scripta | Mirtunjai Mishra Bhavna Pal Asmita Shah Dharmendra Pratap Singh Devendra Singh | 2024/3/11 |
Quantum mechanical analysis of halogen-based ionic liquid crystal [C12MIM.X(where X = Cl, Br)] molecules | Molecular Simulation | Varsha Gautam Shivani Chaudhary Jitendra Kumar Devendra Singh Devesh Kumar | 2024/3/3 |
Physical, chemical, optical and insulating properties of alkyl benzoic acid derivatives liquid crystal due to extension alkyl chain (CNH2N+ 1) length: A DFT study | Kragujevac Journal of Science | Mirtunjai Mishra Narinder Kumar Khem B Thapa BS Rawat Reena Dhyani | 2023 |
Defluorination of Fluorophenols by a Nonheme Iron (IV)‐Oxo Species: Observation of a New Intermediate Along the Reaction | Chemistry–A European Journal | Umesh Kumar Bagha Rolly Yadav Thirakorn Mokkawes Jagnyesh Kumar Satpathy Devesh Kumar | 2023/7/11 |
Quantum mechanical studies of p-azoxyanisole and identification of its electro-optic activity | Physical Chemistry Chemical Physics | Manish Kumar Mirtunjai Mishra Devesh Kumar Devendra Singh | 2023 |
Monte Carlo Approaches to Study Protein Conformation Ensembles | Nidhi Awasthi Rohit Shukla Devesh Kumar Arvind Kumar Tiwari Timir Tripathi | 2023/5/28 | |
Study of Inhibitors Against Novel Coronavirus by Molecular Modelling Tools | Jordan Journal of Chemistry (JJC) | Narinder Kumar Anamika Shukla BS Rawat Rachana Joshi Khem B Thapa | 2023/4/5 |
Biotransformation of bisphenol by human cytochrome P450 2C9 enzymes: A density functional theory study | Inorganic Chemistry | Artur Hermano Sampaio Dias Rolly Yadav Thirakorn Mokkawes Asheesh Kumar Munir S Skaf | 2023/1/18 |
Electronic, optical and spectroscopic properties of N-dialkyl-imidazolium hexafluorophosphate (CNMIM.PF6) ionic liquid crystal molecules investigated by … | Journal of Molecular Modeling | Varsha Gautam Mirtunjai Mishra Khem B Thapa Jitendra Kumar Devendra Singh | 2023/9 |
Revealing metabolic path of Ketamine catalyzed by CYP450 via quantum mechanical approach | Journal of Molecular Structure | Nidhi Awasthi Rolly Yadav Devesh Kumar | 2023/1/5 |
Density Functional Theory (DFT) Study of a Binary Mixture of MBBA and PAA Liquid Crystal for THz Application | Makara Journal of Science | Mirtunjai Mishra Narinder Kumar Pawan Singh BS Rawat Reena Dhyani | 2022 |
Computational investigations on interactions between DNA and flavonols | Biointerface Res. Appl. Chem | Anamika Shukla Ruchi Mishra Rolly Yadav Nidhi Awasthi Devesh Kumar | 2022 |
A theoretical investigation of nonlinear optical and electronic molecular parameters of hexabutyloxytryphenylene and halogenated hexabutyloxytryphenylene molecules using … | Physica Scripta | Bhavna Pal Mirtunjai Mishra Devendra Singh Devesh Kumar | 2022/5/5 |
Oxidative dehalogenation of halophenols by high-valent nonheme iron (IV)-oxo intermediates | Faraday Discussions | Umesh Kumar Bagha Jagnyesh Kumar Satpathy Gourab Mukherjee Prasenjit Barman Devesh Kumar | 2022 |
Biotransformation of BPA via epoxidation catalyzed by Cytochrome P450 | Inorganic Chemistry Communications | Rolly Yadav Nidhi Awasthi Devesh Kumar | 2022/5/1 |
Metabolism of 8-aminoquinoline (8AQ) primaquine via aromatic hydroxylation step mediated by cytochrome P450 enzyme using density functional theory | Journal of Organometallic Chemistry | Nidhi Awasthi Rolly Yadav Devesh Kumar | 2022/1/1 |
Materials Science and Molecular Modeling | Emerging Domains of Material Science | Asheesh Kumar Surya Pratap Goutam Devesh Kumar | 2022/1/25 |
Interplay between two degenerate spin state determines the hydroxylation of 4-nitrophenol catalyzed via Cytochrome P450 | Inorganic Chemistry Communications | Nidhi Awasthi Rolly Yadav Anamika Shukla Devesh Kumar | 2021/10/1 |
Molecular spectroscopy and electro-optical effect of I52 liquid crystal molecules studied under the influence of an external electric field (THz): a theoretical approach | Journal of Molecular Modeling | Narinder Kumar Pawan Singh Khem B Thapa Pranav Upadhyay Devesh Kumar | 2021/1 |
