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R.V. Duritsyn

Nikolaev Institute of Inorganic Chemistry

Russia

  • Nikolaev Institute of Inorganic Chemistry

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Computational analysis of N-B bond strengths in BBr3-amine complexes: a multi-method study of binding energies, ESP distribution, and solvent effects

Number of pages: 15 Posted: 02 Dec 2025
Pavel Martynenko and R.V. Duritsyn
Nikolaev Institute of Inorganic Chemistry and Nikolaev Institute of Inorganic Chemistry
Downloads 26 (1,372,601)

Abstract:

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Lewis acid-base complexes, quantum chemistry, density functional theory, machine learning potentials, AI, DFT