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Ekaterina I. Izgorodina

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2020 – today

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2022
[j4]
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  - journals/jcc/SeegerI22
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Zoe L. Seeger, Ekaterina I. Izgorodina:
A DLPNO-CCSD(T) benchmarking study of intermolecular interactions of ionic liquids. J. Comput. Chem. 43(2): 106-120 (2022)
[j3]
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Anh L. P. Nguyen, Ekaterina I. Izgorodina:
Behavior of counterpoise correction in many-body molecular clusters of organic compounds: Hartree-Fock interaction energy perspective. J. Comput. Chem. 43(8): 568-576 (2022)
[j2]
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Kaycee Low, Michelle L. Coote, Ekaterina I. Izgorodina:
Explainable Solvation Free Energy Prediction Combining Graph Neural Networks with Chemical Intuition. J. Chem. Inf. Model. 62(22): 5457-5470 (2022)
2021
[j1]
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Anh L. P. Nguyen, Thomas G. Mason, Benny D. Freeman, Ekaterina I. Izgorodina:
Prediction of lattice energy of benzene crystals: A robust theoretical approach. J. Comput. Chem. 42(4): 248-260 (2021)

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