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

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

Journal

Computational and Theoretical Chemistry
ISSN: 2210-2728 , E-ISSN: 2210-271X

Output data

Year: 2026, Volume: 1260, Article number : 115766, Pages count : 10 DOI: 10.1016/j.comptc.2026.115766

Authors

Martynenko P.A. ^1,3 , Duritsyn R.V. ^1,2

Affiliations

1	Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, 3 prosp. Akad. Lavrentieva, 630090 Novosibirsk, Russian Federation
2	Novosibirsk State University, 1 Pirogov St., Novosibirsk, Russian Federation
3	Synchrotron Radiation Facility SKIF, Boreskov Institute of Catalysis SB RAS, Nikolsky Prosp., 1, Kol'tsovo 630559, Russian Federation

Funding (1)

Martynenko P.A. , Duritsyn R.V.
Computational analysis of N B bond strengths in BBr₃-amine complexes: A multi-method study of binding energies, ESP distribution, and solvent effects
Computational and Theoretical Chemistry. 2026. V.1260. 115766 :1-10. DOI: 10.1016/j.comptc.2026.115766 WOS Scopus OpenAlex

Submitted:	Nov 26, 2025
Published print:	Jun 30, 2026

≡ Web of science:	WOS:001742044000001
≡ Scopus:	2-s2.0-105035072003
≡ OpenAlex:	W7138125729