Manna AK - Search Results

1

Origins of Molecular-Twist-Triggered Intersystem Crossing in Functional Perylenediimides: Singlet-Triplet Gap versus Spin-Orbit Coupling.

Ahmed R, Manna AK. Ahmed R, et al. Among authors: manna ak. J Phys Chem A. 2022 Sep 29;126(38):6594-6603. doi: 10.1021/acs.jpca.2c03455. Epub 2022 Sep 14. J Phys Chem A. 2022. PMID: 36103245

2

Structural, Electronic, and Spectral Properties of Metal Dimethylglyoximato [M(DMG)₂; M = Ni²⁺, Cu²⁺] Complexes: A Comparative Theoretical Study.

Ali SY, Reddy KD, Manna AK. Ali SY, et al. Among authors: manna ak. J Phys Chem A. 2019 Oct 24;123(42):9166-9174. doi: 10.1021/acs.jpca.9b06762. Epub 2019 Oct 10. J Phys Chem A. 2019. PMID: 31599589

3

Molecular-scale engineering of the charge-transfer excited states in non-covalently bound Zn-porphyrin and carbon fullerene based donor-acceptor complex.

Ahmed R, Manna AK. Ahmed R, et al. Among authors: manna ak. Phys Chem Chem Phys. 2020 Jul 8;22(26):14822-14831. doi: 10.1039/d0cp01936d. Phys Chem Chem Phys. 2020. PMID: 32578616

4

Theoretical insights on tunable optoelectronics and charge mobilities in cyano-perylenediimides: interplays between -CN numbers and positions.

Ahmed R, Manna AK. Ahmed R, et al. Among authors: manna ak. Phys Chem Chem Phys. 2021 Jul 14;23(27):14687-14698. doi: 10.1039/d1cp01473k. Phys Chem Chem Phys. 2021. PMID: 34190243

5

Understanding High Fluorescence Quantum Yield and Simultaneous Large Stokes Shift in Phenyl Bridged Donor-π-Acceptor Dyads with Varied Bridge Lengths in Polar Solvents.

Ahmed R, Manna AK. Ahmed R, et al. Among authors: manna ak. J Phys Chem A. 2022 Jul 7;126(26):4221-4229. doi: 10.1021/acs.jpca.2c02950. Epub 2022 Jun 23. J Phys Chem A. 2022. PMID: 35737581

6

Potential of a pH-Stable Microporous MOF for C₂H₂/C₂H₄ and C₂H₂/CO₂ Gas Separations under Ambient Conditions.

Pal SC, Ahmed R, Manna AK, Das MC. Pal SC, et al. Among authors: manna ak. Inorg Chem. 2022 Nov 14;61(45):18293-18302. doi: 10.1021/acs.inorgchem.2c03275. Epub 2022 Nov 1. Inorg Chem. 2022. PMID: 36318183

7

Tailoring intersystem crossing of perylenediimide through chalcogen-substitution at bay-position: A theoretical perspective.

Ahmed R, Manna AK. Ahmed R, et al. Among authors: manna ak. J Chem Phys. 2022 Dec 7;157(21):214301. doi: 10.1063/5.0126428. J Chem Phys. 2022. PMID: 36511549

8

Electronic Structures and Charge Mobilities of Several Regioisomeric B₂N₂-Substituted Perylenediimides.

Ahmed R, Manna AK. Ahmed R, et al. Among authors: manna ak. J Phys Chem A. 2023 Mar 30;127(12):2742-2750. doi: 10.1021/acs.jpca.2c09106. Epub 2023 Mar 15. J Phys Chem A. 2023. PMID: 36921232

9

Assessing Intersystem Crossing Rates in Donor- and/Acceptor-Functionalized Corroles: A Computational Study.

Tedy AM, Ahmed R, Manna AK. Tedy AM, et al. Among authors: manna ak. J Phys Chem A. 2023 Apr 20;127(15):3347-3355. doi: 10.1021/acs.jpca.2c08937. Epub 2023 Apr 4. J Phys Chem A. 2023. PMID: 37014661

10

Understanding remarkably high triplet quantum yield in thione analogs of perylenediimide: A detailed theoretical study.

Ahmed R, Manna AK. Ahmed R, et al. Among authors: manna ak. J Chem Phys. 2023 Jun 7;158(21):214304. doi: 10.1063/5.0152082. J Chem Phys. 2023. PMID: 37265215

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