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A comprehensive guide for accurate conformational energies of microsolvated Li⁺ clusters with organic carbonates.

Otlyotov AA, Moshchenkov AD, Rozov TP, Tuma AA, Ryzhako AS, Minenkov Y. Otlyotov AA, et al. Among authors: tuma aa. Phys Chem Chem Phys. 2024 Nov 27;26(46):29121-29132. doi: 10.1039/d4cp03487b. Phys Chem Chem Phys. 2024. PMID: 39558743

An influence of electronic structure theory method, thermodynamic and implicit solvation corrections on the organic carbonates conformational and binding energies.

Ryzhako AS, Tuma AA, Otlyotov AA, Minenkov Y. Ryzhako AS, et al. Among authors: tuma aa. J Comput Chem. 2024 Dec 15;45(32):3004-3016. doi: 10.1002/jcc.27471. Epub 2024 Sep 17. J Comput Chem. 2024. PMID: 39286905

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