Alkali, alkaline earth and transition metal doped B6H6 complexes for hydrogen storage R Konda, A Deshmukh, E Titus, A Chaudhari International Journal of Hydrogen Energy 42 (37), 23723-23730, 2017 | 23 | 2017 |
Electronic structure calculations and molecular dynamics simulations of hydrogen adsorption on Beryllium doped complexes A Deshmukh, R Konda, E Titus, A Chaudhari International Journal of Hydrogen Energy 42 (37), 23708-23715, 2017 | 19 | 2017 |
Improved H 2 uptake capacity of transition metal doped benzene by boron substitution A Deshmukh, R Konda, V Kalamse, A Chaudhari RSC advances 6 (52), 47033-47042, 2016 | 18 | 2016 |
Enhanced gas sensitivity in TiO2 nanoneedles grown on upright SnO2 nanoplates SD Waghmare, DV Shinde, MK Zate, R Konda, RS Mane, SH Han Scripta Materialia 68 (9), 735-738, 2013 | 15 | 2013 |
Closoborate-transition metal complexes for hydrogen storage R Konda, V Kalamse, A Deshmukh, A Chaudhari RSC advances 5 (120), 99207-99216, 2015 | 13 | 2015 |
Adsorption of molecular hydrogen on inorganometallic complexes B2H4M (M=Li, Be, Sc, Ti, V) R Konda, E Titus, A Chaudhari Structural Chemistry 29 (6), 1593-1599, 2018 | 9 | 2018 |
Functionalized tetrahedral silsesquioxane cages for hydrogen storage R Konda, A Deshmukh, V Kalamse, A Chaudhari International Journal of Hydrogen Energy 45 (56), 32157-32167, 2020 | 8 | 2020 |
Volatile organic compounds sensing by Li/Ti doped ethylene complex N Ingale, R Konda, A Chaudhari Adsorption 26 (1), 103-115, 2020 | 8 | 2020 |
Metal doped tetrahedral silsesquioxane cages for hydrogen storage C Gend, R Konda, A Chaudhari Polyhedron 230, 116235, 2023 | 5 | 2023 |
Be, Li and Sc functionalized borane B6H6 and carborane C2B4H6 for hydrogen storage: A comparison using first principles approach and molecular dynamics … R Konda, E Titus, A Chaudhari International Journal of Energy Research 45 (5), 7605-7616, 2021 | 5 | 2021 |
Organolithium complex as a gas sensing material for oxides from ab initio calculations and molecular dynamics simulations N Ingale, R Konda, A Chaudhari International Journal of Quantum Chemistry 118 (15), e25623, 2018 | 4 | 2018 |
Metal-doped ethylene complexes for hazardous gas molecule sensing N Ingale, R Konda, A Chaudhari Structural Chemistry 30, 1057-1066, 2019 | 3 | 2019 |
Gas sensing properties of organotitanium complex from first principles calculations and molecular dynamics simulations N Ingale, R Konda, A Chaudhari Chemical Physics Letters 706, 247-254, 2018 | 3 | 2018 |
Tetrahedral silsesquioxane-C2H2Ti complex for hydrogen storage R Konda, P Tavhare, N Ingale, A Chaudhari AIP Conference Proceedings 1942 (1), 2018 | 3 | 2018 |
H2 storage and equilibrium isotope effect for Be, Li, and Ti-doped closoborate complexes R Konda, M Solimannejad, A Chaudhari Structural Chemistry 32, 1489-1504, 2021 | 2 | 2021 |
Ab initio calculations and molecular dynamics simulation of H2 adsorption on CN3Be3+ cluster M Solimannejad, R Konda, R Rahimi, A Chaudhari Structural Chemistry 31, 1757-1763, 2020 | 2 | 2020 |
Alkali, alkaline earth, and transition metal substitutional doped BN-Adamantane as a hydrogen storage material: A density functional theory study C Gend, R Konda, A Chaudhari Materials Chemistry and Physics, 129339, 2024 | | 2024 |
Vibrational spectra for closoborate and metal doped closoborate using ab initio method R Konda, A Chaudhari NISCAIR-CSIR, India, 2018 | | 2018 |