Raka Ahmed
Affiliations: | 2018- | IIT Tirupati |
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Publications
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| Debnath P, Ahmed R, Manna AK. (2023) Molecular-Scale Design of Azulene-Based Triplet Photosensitizers: Insights from Time-Dependent Optimally Tuned Range-Separated Hybrid. The Journal of Physical Chemistry. B |
| Ahmed R, Manna AK. (2023) Understanding remarkably high triplet quantum yield in thione analogs of perylenediimide: A detailed theoretical study. The Journal of Chemical Physics. 158 |
| Tedy AM, Ahmed R, Manna AK. (2023) Assessing Intersystem Crossing Rates in Donor- and/Acceptor-Functionalized Corroles: A Computational Study. The Journal of Physical Chemistry. A. 127: 3347-3355 |
| Ahmed R, Manna AK. (2023) Electronic Structures and Charge Mobilities of Several Regioisomeric BN-Substituted Perylenediimides. The Journal of Physical Chemistry. A. 127: 2742-2750 |
| Ahmed R, Manna AK. (2022) Tailoring intersystem crossing of perylenediimide through chalcogen-substitution at bay-position: A theoretical perspective. The Journal of Chemical Physics. 157: 214301 |
| Pal SC, Ahmed R, Manna AK, et al. (2022) Potential of a pH-Stable Microporous MOF for CH/CH and CH/CO Gas Separations under Ambient Conditions. Inorganic Chemistry. 61: 18293-18302 |
| Ahmed R, Manna AK. (2022) Origins of Molecular-Twist-Triggered Intersystem Crossing in Functional Perylenediimides: Singlet-Triplet Gap versus Spin-Orbit Coupling. The Journal of Physical Chemistry. A. 126: 6594-6603 |
| Ahmed R, Manna AK. (2022) Understanding High Fluorescence Quantum Yield and Simultaneous Large Stokes Shift in Phenyl Bridged Donor-π-Acceptor Dyads with Varied Bridge Lengths in Polar Solvents. The Journal of Physical Chemistry. A |
| Ahmed R, Manna AK. (2021) Theoretical insights on tunable optoelectronics and charge mobilities in cyano-perylenediimides: interplays between -CN numbers and positions. Physical Chemistry Chemical Physics : Pccp |
| Ahmed R, Manna AK. (2020) Molecular-scale engineering of the charge-transfer excited states in non-covalently bound Zn-porphyrin and carbon fullerene based donor-acceptor complex. Physical Chemistry Chemical Physics : Pccp |