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Raka Ahmed - Publications

Affiliations: 
2018- IIT Tirupati 
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10 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Debnath P, Ahmed R, Manna AK. Molecular-Scale Design of Azulene-Based Triplet Photosensitizers: Insights from Time-Dependent Optimally Tuned Range-Separated Hybrid. The Journal of Physical Chemistry. B. PMID 37950697 DOI: 10.1021/acs.jpcb.3c05688  0.725
2023 Ahmed R, Manna AK. Understanding remarkably high triplet quantum yield in thione analogs of perylenediimide: A detailed theoretical study. The Journal of Chemical Physics. 158. PMID 37265215 DOI: 10.1063/5.0152082  0.667
2023 Tedy AM, Ahmed R, Manna AK. Assessing Intersystem Crossing Rates in Donor- and/Acceptor-Functionalized Corroles: A Computational Study. The Journal of Physical Chemistry. A. 127: 3347-3355. PMID 37014661 DOI: 10.1021/acs.jpca.2c08937  0.518
2023 Ahmed R, Manna AK. Electronic Structures and Charge Mobilities of Several Regioisomeric BN-Substituted Perylenediimides. The Journal of Physical Chemistry. A. 127: 2742-2750. PMID 36921232 DOI: 10.1021/acs.jpca.2c09106  0.685
2022 Ahmed R, Manna AK. Tailoring intersystem crossing of perylenediimide through chalcogen-substitution at bay-position: A theoretical perspective. The Journal of Chemical Physics. 157: 214301. PMID 36511549 DOI: 10.1063/5.0126428  0.7
2022 Pal SC, Ahmed R, Manna AK, Das MC. Potential of a pH-Stable Microporous MOF for CH/CH and CH/CO Gas Separations under Ambient Conditions. Inorganic Chemistry. 61: 18293-18302. PMID 36318183 DOI: 10.1021/acs.inorgchem.2c03275  0.56
2022 Ahmed R, Manna AK. 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. PMID 36103245 DOI: 10.1021/acs.jpca.2c03455  0.722
2022 Ahmed R, Manna AK. 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. PMID 35737581 DOI: 10.1021/acs.jpca.2c02950  0.684
2021 Ahmed R, Manna AK. Theoretical insights on tunable optoelectronics and charge mobilities in cyano-perylenediimides: interplays between -CN numbers and positions. Physical Chemistry Chemical Physics : Pccp. PMID 34190243 DOI: 10.1039/d1cp01473k  0.694
2020 Ahmed R, Manna AK. 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. PMID 32578616 DOI: 10.1039/D0Cp01936D  0.683
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