| Morphology directing synthesis of 1-pyrene carboxaldehyde microstructures and their photo physical properties GP Sahoo, D Das, PS Sheet, H Beg, G Salgado-Morán, A Misra RSC Advances 4 (21), 10903-10911, 2014 | 20 | 2014 |
| Use of polarizability and chemical hardness to locate the transition state and the potential energy curve for double proton transfer reaction: A DFT based study H Beg, SP De, S Ash, A Misra Computational and Theoretical Chemistry 984, 13-18, 2012 | 15 | 2012 |
| Excited state intramolecular proton transfer in 3-hydroxychromone: a DFT-based computational study S Ash, SP De, H Beg, A Misra Molecular Simulation 37 (11), 914-922, 2011 | 14 | 2011 |
| Computation of polarizability, hyper-polarizability and hardness as descriptor for enol–keto tautomerizations of 2-hydroxy pyridines H Beg, D Das, S Ash, A Misra Computational and Theoretical Chemistry 1017, 200-207, 2013 | 12 | 2013 |
| Polarizability, chemical hardness and ionization potential as descriptors to understand the mechanism of double proton transfer in acetamide dimer H Beg, SP De, S Ash, D Das, A Misra Computational and Theoretical Chemistry 1005, 1-8, 2013 | 12 | 2013 |
| Polarizability, hardness and electrophilicity as global descriptors for intramolecular proton transfer reaction path S Ash, H Beg, P Mazumdar, G Salgado-Morán, A Misra Computational and Theoretical Chemistry 1031, 50-55, 2014 | 9 | 2014 |
| An efficient fluorescent aggregates for selective recognition of 4-nitrophenol based on 9, 10-dihydrobenzo [a] pyrene-7 (8 H)-one A Maity, M Shyamal, N Mudi, PK Giri, SS Samanta, P Hazra, H Beg, ... Journal of Photochemistry and Photobiology A: Chemistry 400, 112692, 2020 | 5 | 2020 |
| Computation of global reactivity descriptors and first hyper polarisability as a function of torsional angle of donor–acceptor substituted biphenyl ring system D Mandal, R Maity, H Beg, G Salgado-Morán, A Misra Molecular Physics 116 (4), 515-525, 2018 | 4 | 2018 |
| Investigation of first hyper-polarisability molecular switches between enol–keto equilibrium of phenyl benzodifurantrione: a DFT-based computational study U Mandal, SS Samanta, H Beg, A Misra Molecular Physics 121 (3), e2161964, 2023 | 3 | 2023 |
| Decoding the commutable first hyperpolarisability of keto–enol tautomer using DFT and AI-based soft computing method U Mandal, SS Samanta, S Mandal, S Barman, H Beg, A Misra Molecular Simulation, 1-17, 2024 | | 2024 |
| O-Vanillin scaffold as selective chemosensor of PO43-and the application of neural network based soft computing to predict machine learning outcome A Misra, N Mudi, SS Samanta, S Mandal, S Barman, H Beg New Journal of Chemistry, 2024 | | 2024 |
| A fluorescence based dual sensor for Zn 2+ and PO 4 3− and the application of soft computing methods to predict machine learning outcomes SS Samanta, S Giri, S Mandal, U Mandal, H Beg, A Misra Physical Chemistry Chemical Physics 26 (13), 10037-10053, 2024 | | 2024 |
| Effect of charge transfer on the first hyper-polarizability of N, N-dimethylaniline and julolidine: a DFT based comparative study U Mandal, H Beg, A Misra Journal of Molecular Modeling 29 (11), 351, 2023 | | 2023 |
