Smruti Ranjan Sahoo, S. Sahu, S. Sharma, "Charge transport, optical, and nonlinear optical properties of CF3- substituted acene compounds: a DFT study", Theoretical Chemistry Accounts, 1, 136:99, 2017, IF= 1.8.

Smruti Ranjan Sahoo, S. Sahu, S. Sharma, "Charge transport and prototypical optical absorptions in funtionalized zinc phthalocyanine compounds: A density functional study", Journal of Physical Organic Chemistry, e3785, 31, 2017, IF= 1.9.

R. Khatua, Smruti Ranjan Sahoo, S. Sharma, R. Thangvel, S. Sahu, "Anisotropic charge transport properties of chrysene derivatives as organic semiconductors: A computational study", Journal of Physical Organic Chemistry, e3859, 31, 2018, IF= 1.9.

Smruti Ranjan Sahoo, S. Sahu, S. Sharma, "Indolocarbazole (IC) Derivatives as Promising p-type Organic Semiconductors: A First-Principle Study of Their Anisotropic Charge Mobilities", Chemsitryselect, 4624, 3, 2018, IF= 2.3.

S. S. Ray, Smruti Ranjan Sahoo, S. Sahu, "Hydrogen storage in scandium doped small boron clusters (BnSc2, n=3-10): A density functional study", International Journal of Hydrogen Energy, 6019, 44, 2019, IF= 9.2.

G. Gogoi, Smruti Ranjan Sahoo, B. K. Rajbongshi, S. Sahu, N. S. Sharma, S. Sharma, "New types of organic semiconductors based on diketopyrrolopyrroles and 2,1,3-benzochalcogenadiazoles: a computational study", Journal of Molecular Modeling, 1, 25:42, 2019, IF= 2.9.

L. Bhattacharya, Smruti Ranjan Sahoo, S. Sharma, S. Sahu, "Effect of electron-withdrawing groups on photovoltaic performance of thiophene-vinyl-thiophene derivative and benzochalcogenadiazole based copolymers: A computational study", International Journal of Quantum Chemistry, e25982, 119, 2019, IF= 2.7.

Smruti Ranjan Sahoo, S. Sharma, S. Sahu, "A computational study of anisotropic charge transport in air-stable fluorinated benzobisbenzothiophene (FBBBT) derivatives", Journal of Molecular Modeling, 1, 26:14, 2020, IF= 2.9.

R. Khatua, Smruti Ranjan Sahoo, S. Sharma, S. Sahu, "Anisotropic charge transport and optoelectronic properties of wide band gap organic semiconductors based on biphenyl derivatives: A computational study", Synthetic Metals, 116474, 267, 2020, IF=4.5.

G. Gogoi, L. Bhattacharya, Smruti Ranjan Sahoo, S. Sahu, N. S. Sarma, S. Sharma, "Enhancement of air-stability, ?-stacking ability, charge transport properties of fluoroalkyl side chain engineered n-type naphthalene tetracarboxylic diimide compounds", RSC Advances, 57, 11, 2021, IF= 6.1.

S. Debata, Smruti Ranjan Sahoo, R. Khatua, S. Sahu, "Rational design and crystal structure prediction of ring-fused double-PDI compounds as n-channel organic semiconductors: a DFT study", Physical Chemistry Chemical Physics, 12329, 23, 2021, IF= 3.0.

S. Das, A. Choudhury, A. Mandal, C. Kumar, Smruti Ranjan Sahoo, A. Bedi, H. S. Karmakar, N. G. Ghosh, S. Dey, P. K. Iyer, S. Bhattacharyya, S. S Zade, "An unconventional route to an ambipolar azaheterocycle and its in situ generated radical anion", Organic & Biomolecular Chemistry, 5114, 19, 2021, IF= 2.8.

Smruti Ranjan Sahoo, C. H. Patterson, "Charge Transfer Excitons in ?–stacked Thiophene Oligomers and P3[Alkyl]T Crystals: CIS calculations and electroabsorption spectroscopy", Journal of Chemical Physics, 074901, 157, 2022, IF= 3.7.

Smruti Ranjan Sahoo, C. H. Patterson, "Spectroscopic Identification of the Charge-transfer State in Thiophene/Fullerene Heterojunctions: Electroabsorption Spectroscopy from GW/BSE Calculations", The Journal of Physical Chemistry C, 15928, 127, 2023, IF= 3.4.

B. Szymanski, Smruti Ranjan Sahoo, R. Valiev, O. Vakuliuk, P. Laski, K. N. Jarzembska, R. kaminski, G. Baryshnikov, M. B. Teimouri, D. T. Gryko, "The effect of rigidity on the emission of quadrupolar strongly polarized dyes", New Journal of Chemistry, 2416, 48, 2024, IF= 2.6.

K. Gorski, D. Kusy, S. Ozaki, M. Banasiewicz, R. Valiev, Smruti Ranjan Sahoo, K. Kamada, G. Baryshnikov, D. T. Gryko, "The interplay of intersystem crossing and internal conversion in quadrupolar tetraarylpyrrolo[3,2-b]pyrroles", Journal of Materials Chemistry C, 1980, 12, 2024, IF= 5.1.

S. Shen, Q. Xie, Smruti Ranjan Sahoo, J. Jin, G. V. Baryshnikov, H. Sun, H. Wu, H. Agren, Q. Liu, L. Zhu, "Edible Long-Afterglow Photoluminescent Materials for Bioimaging", Advanced Materials, 2404888, 36, 2024, IF= 29.1.

D. Ye, L. Zhou, Smruti Ranjan Sahoo, G. V. Baryshnikov, H. Agren, L. Zhu, "Deoxygenation-Promoted Aggregation-Induced TADF-RTP Dual Emission for High-Contrast Channel-Selectable Hypoxia Probing", The Journal of Physical Chemistry C, 9385, 128, 2024, IF= 3.4.

Y. Li, G. V. Baryshnikov, Smruti Ranjan Sahoo, Z. Lu, L. Zhou, L. Liu, W. Feng, L. Zhu, P. Wei, H. Wu, T. Yi, "Long-wavelength dual-state luminescent naphthalimide derivatives for bio-imaging", Journal of Materials Chemistry C, 11877, 12, 2024, IF= 5.1.

Y. Chen, Smruti Ranjan Sahoo, G. V. Baryshnikov, L. Gao, Z. Zhu, H. Wu, "Solution and Solid-State Fluorescence Emission From Cyanostyrene Molecules With Multiple Nitrogen Atoms", Physical Chemistry Chemical Physics, 26816, 26, 2024, IF= 3.0.

S. Kutsiy, D. Volynuik, Smruti Ranjan Sahoo, M. Ceborska, A. Wisniewska, P. Stakhira, J. V. Grazulevicius, G. V. Baryshnikov, M. A. Potopnyk, "Sterically Tuned Ortho-Phenylene-Linked Donor-Acceptor Benzothiazole-Based Boron Difluoride Complexes As Thermally-Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes", ACS Applied Materials & Interfaces, 60633, 16, 2024, IF= 7.8.

B. Szymanski, Smruti Ranjan Sahoo, O. Vakuliuk, R. Valiev, R. Ramazanov, P. Laski, K. N. Jarzembska, R. Kaminski, M. B. Teimouri, G. V. Baryshnikov, D. T. Gryko, "Shedding New Light On Quadrupolar 1,4-dihydropyrrolo[3,2-b]pyrroles: Impact of Electron-deficient Scaffolds Over Emission", Chemical Science, 2170, 16, 2025, IF= 8.1.

Smruti Ranjan Sahoo, G. V. Baryshnikov, H. Agren, "Developing Red and Near-Infrared Delayed Fluorescence emission in Nitrogen-Substituted Donor-Acceptor Polycyclic Hydrocarbon OLED Emitters: A Theoretical Study", The Journal of Physical Chemistry A, 2396, 129, 2025, IF= 3.0.

X. Shan, X. Lu, Smruti Ranjan Sahoo, Y. Hu, G. V. Baryshnikov, H. Ågren, J. Jin, C. Qian, F. Chen, H. Wu, "Bright Long-Wavelength Multi-State TADF Emitters", Angewandte Chemie International Edition, e202507793, 64, 2025, IF= 17.6.

Z. Li, Smruti Ranjan Sahoo, S. Shen, H. Sun, H. Ågren, M. Zhang, G. Baryshnikov, L. Zhu, "Charge-Rearrangement Averaged Dye Design for Precise, Real-Time, and Portable Monitoring of Complex Solvent Environments", Angewandte Chemie International Edition, e202513349, 64, 2025, IF= 17.6.

C. Liu, X. Ren, Smruti Ranjan Sahoo, A. Kuklin, C. Yao, H. Ågren, Y. Zhang, "Enriched Oxygen Vacancy-Mediated Efficient Charge Transfer in S-Scheme ZnO-Vo@Zn0.5Cd0.5S Heterojunction for Rapid U(VI) Removal From Nuclear Wastewater", Advanced Science, e12163, 12, 2025, IF= 14.1.

D. Ye, R. Jiang, H. Yang, Smruti Ranjan Sahoo, G. V. Baryshnikov, Y. Shi, Z. Tang, S. Li, Y. Wan, H. Ågren, Z. Tao, X. Wang, L. Zhu, "Photoexcitation-Induced Chiral Self-Assembly For Phosphorescence-to-Thermally Activated Delayed Fluorescence Transformation", Angewandte Chemie International Edition, e16591, 64, 2025, IF= 17.6.