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Creators/Authors contains: "Casanola-Martin, Gerardo"

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Chemical feature-based machine learning model for predicting photophysical properties of BODIPY compounds: density functional theory and quantitative structure–property relationship modeling

https://doi.org/10.1007/s00894-024-06240-4

Casanola-Martin, Gerardo M ; Wang, Jing ; Zhou, Jian-ge ; Rasulev, Bakhtiyor ; Leszczynski, Jerzy ( January 2025 , Journal of Molecular Modeling)

Free, publicly-accessible full text available January 1, 2026
Combined Machine Learning, Computational, and Experimental Analysis of the Iridium(III) Complexes with Red to Near-Infrared Emission

https://doi.org/10.1021/acs.jpclett.3c02533

Karuth, Anas ; Casanola-Martin, Gerardo M. ; Lystrom, Levi ; Sun, Wenfang ; Kilin, Dmitri ; Kilina, Svetlana ; Rasulev, Bakhtiyor ( January 2024 , The Journal of Physical Chemistry Letters)

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Quantitative Structure─Permittivity Relationship Study of a Series of Polymers

https://doi.org/10.1021/acsmaterialsau.3c00079

Zhuravskyi, Yevhenii ; Iduoku, Kweeni ; Erickson, Meade E. ; Karuth, Anas ; Usmanov, Durbek ; Casanola-Martin, Gerardo ; Sayfiyev, Maqsud N. ; Ziyaev, Dilshod A. ; Smanova, Zulayho ; Mikolajczyk, Alicja ; et al ( January 2024 , ACS Materials Au)

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