| Long‐range corrected functionals satisfy Koopmans' theorem: calculation of correlation and relaxation energies R Kar, JW Song, K Hirao Journal of Computational Chemistry 34 (11), 958-964, 2013 | 72 | 2013 |
| Effect of solvents having different dielectric constants on reactivity: a conceptual DFT approach R Kar, S Pal International Journal of Quantum Chemistry 110 (9), 1642-1647, 2010 | 54 | 2010 |
| The influence of electric field on the global and local reactivity descriptors: reactivity and stability of weakly bonded complexes R Kar, KRS Chandrakumar, S Pal The Journal of Physical Chemistry A 111 (2), 375-383, 2007 | 52 | 2007 |
| An immobilized symmetrical bis-(NHC) palladium complex as a highly efficient and recyclable Suzuki–Miyaura catalyst in aerobic aqueous media T Begum, M Mondal, MP Borpuzari, R Kar, G Kalita, PK Gogoi, U Bora Dalton Transactions 46 (2), 539-546, 2017 | 50 | 2017 |
| Biosynthesis of Ag nanoparticles using pedicellamide and its photocatalytic activity: an eco-friendly approach C Tamuly, M Hazarika, M Bordoloi, PK Bhattacharyya, R Kar Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 132, 687-691, 2014 | 47 | 2014 |
| A theoretical study on the antioxidant property of gallic acid and its derivatives D Kalita, R Kar, JG Handique Journal of Theoretical and Computational Chemistry 11 (02), 391-402, 2012 | 45 | 2012 |
| Experimental and theoretical study of urea and thiourea based new colorimetric chemosensor for fluoride and acetate ions E Saikia, MP Borpuzari, B Chetia, R Kar Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 152, 101-108, 2016 | 36 | 2016 |
| Effect of external electric field on aziridinium ion intermediate: A DFT study B Neog, N Sarmah, R Kar, PK Bhattacharyya Computational and Theoretical Chemistry 976 (1-3), 60-67, 2011 | 32 | 2011 |
| Does structural variation in the aziridinium ion facilitate alkylation? PK Bhattacharyya, R Kar Computational and Theoretical Chemistry 967 (1), 5-11, 2011 | 27 | 2011 |
| Palladium‐on‐Carbon‐Catalyzed Coupling of Nitroarenes with Phenol: Biaryl Ether Synthesis and Evidence of an Oxidative‐Addition‐Promoted Mechanism T Begum, M Mondal, MP Borpuzari, R Kar, PK Gogoi, U Bora European Journal of Organic Chemistry 2017 (22), 3244-3248, 2017 | 26 | 2017 |
| Intercluster reactivity of metalloaromatic and antiaromatic compounds and their applications in molecular electronics: a theoretical investigation S Shetty, R Kar, DG Kanhere, S Pal The Journal of Physical Chemistry A 110 (1), 252-256, 2006 | 23 | 2006 |
| A new nonempirical tuning scheme with single self‐consistent field calculation: Comparison with global and IP‐tuned range‐separated functional MP Borpuzari, R Kar Journal of computational chemistry 38 (26), 2258-2267, 2017 | 20 | 2017 |
| Electric field response of molecular reactivity descriptors: a case study R Kar, S Pal Theoretical Chemistry Accounts 120, 375-383, 2008 | 19 | 2008 |
| Assessment of range-separated functionals in the presence of implicit solvent: Computation of oxidation energy, reduction energy, and orbital energy A Boruah, MP Borpuzari, Y Kawashima, K Hirao, R Kar The Journal of Chemical Physics 146 (16), 2017 | 17 | 2017 |
| Antioxidant properties can be tuned in the presence of an external electric field: accurate computation of O–H BDE with range-separated density functionals MP Borpuzari, R Rohman, R Kar RSC advances 5 (95), 78229-78237, 2015 | 16 | 2015 |
| How does the presence of an oxyradical influence the behavior of polyphenolic antioxidant? A case study on gallic acid R Rohman, R Kar Journal of Molecular Modeling 24, 1-10, 2018 | 12 | 2018 |
| Structural, electronic and reactivity studies on group 15 analogues of N-heterocyclic carbene MP Borpuzari, AK Guha, R Kar Structural Chemistry 26, 859-871, 2015 | 11 | 2015 |
| Long‐range corrected density functionals combined with local response dispersion: A promising method for weak interactions R Kar, JW Song, T Sato, K Hirao Journal of Computational Chemistry 34 (27), 2353-2359, 2013 | 11 | 2013 |
| Performance of Range Separated Density Functional in Solvent Continuum: Tuning Long‐range Hartree–Fock Exchange for Improved Orbital Energies A Boruah, MP Borpuzari, R Kar Journal of Computational Chemistry 41 (4), 295-304, 2020 | 8 | 2020 |
| External field and chemical reactivity R Kar, S Pal Chemical reactivity: a density functional view, 2008 | 8 | 2008 |
