| Achieving High Efficiency in Solution-Processed Perovskite Solar Cells Using C60/C70 Mixed Fullerenes HS Lin, I Jeon, R Xiang, S Seo, JW Lee, C Li, A Pal, S Manzhos, ... ACS applied materials & interfaces 10 (46), 39590-39598, 2018 | 79 | 2018 |
| Controlled redox of lithium-ion endohedral fullerene for efficient and stable metal electrode-free perovskite solar cells I Jeon, A Shawky, HS Lin, S Seo, H Okada, JW Lee, A Pal, S Tan, ... Journal of the American Chemical Society 141 (42), 16553-16558, 2019 | 74 | 2019 |
| Comparative density functional theory–density functional tight binding study of fullerene derivatives: effects due to fullerene size, addends, and crystallinity on band … A Pal, LK Wen, CY Jun, I Jeon, Y Matsuo, S Manzhos Physical Chemistry Chemical Physics 19 (41), 28330-28343, 2017 | 32 | 2017 |
| Small molecule activation by constrained phosphorus compounds: insights from theory A Pal, K Vanka Inorganic Chemistry 55 (2), 558-565, 2016 | 31 | 2016 |
| Comparison of optical absorption spectra of organic molecules and aggregates computed from real frequency dependent polarizability to TD-DFT and the dipole approximation ST Ang, A Pal, S Manzhos The Journal of Chemical Physics 149 (4), 2018 | 12 | 2018 |
| A DFT investigation of the potential of porous cages for the catalysis of ammonia borane dehydrogenation A Pal, K Vanka Chemical Communications 47 (41), 11417-11419, 2011 | 12 | 2011 |
| Simultaneous formation of non-oxidovanadium (iv) and oxidovanadium (v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions N Biswas, S Bera, N Sepay, A Pal, T Halder, S Ray, S Acharyya, ... New Journal of Chemistry 44 (9), 3700-3716, 2020 | 11 | 2020 |
| Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [V IV O (β-diketonate) 2] with 2-aminobenzoylhydrazide in aerobic and anaerobic conditions N Biswas, D Patra, B Mondal, S Bera, S Acharyya, AK Biswas, ... Dalton Transactions 46 (33), 10963-10985, 2017 | 11 | 2017 |
| Effect of nuclear motion on charge transport in fullerenes: a combined density functional tight binding—density functional theory investigation S Arabnejad, A Pal, K Yamashita, S Manzhos Frontiers in Energy Research 7, 3, 2019 | 10 | 2019 |
| Influence of the aggregate state on band structure and optical properties of C60 computed with different methods A Pal, S Arabnejad, K Yamashita, S Manzhos The Journal of Chemical Physics 148 (20), 2018 | 10 | 2018 |
| Effect of organic cation states on electronic properties of mixed organic–inorganic halide perovskite clusters S Manzhos, A Pal, Y Chen, G Giorgi Physical Chemistry Chemical Physics 21 (15), 8161-8169, 2019 | 9 | 2019 |
| Proposing late transition metal complexes as frustrated Lewis pairs–a computational investigation A Pal, K Vanka Dalton Transactions 42 (38), 13866-13873, 2013 | 5 | 2013 |
| Can silylenes rival transition metal systems in bond-strengthening π-back donation? A computational investigation A Pal, K Vanka Chemical Communications 50 (62), 8522-8525, 2014 | 3 | 2014 |
| Comparison of three methods to compute optical absorption spectra of organic molecules and solids AS Tuan, A Pal, S Manzhos arXiv preprint arXiv:1805.07717, 2018 | | 2018 |
| Calculations of optical properties of organic molecules and crystals avoidng some drawbacks of TD-DFT and dipole approximations ST Ang, A Pal, S Manzhos, SM Team APS March Meeting Abstracts 2018, L60. 310, 2018 | | 2018 |
| Computational investigations of small molecule activation A Pal National Chemical Laboratory, 2016 | | 2016 |
| Exploring the effectiveness of different Lewis pair combinations in caged structures for the catalysis of ammonia borane dehydrogenation: a DFT study A Pal, K Vanka Physical Chemistry Chemical Physics 15 (48), 20857-20867, 2013 | | 2013 |
Sergei ManzhosAssociate Professor, Ihara-Manzhos laboratory, Tokyo Institute of TechnologyDirección de correo verificada de m.titech.ac.jp