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Structural stability and the low-lying singlet and triplet states of BN-n-acenes, n = 1-7.
J Comput Chem. 2023 Mar 5;44(6):755-765. doi: 10.1002/jcc.27038. Epub 2022 Nov 14.
J Comput Chem. 2023.
PMID: 36373956
A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects.
Chagas JCV, Milanez BD, Oliveira VP, Pinheiro M Jr, Ferrão LFA, Aquino AJA, Lischka H, Machado FBC.
Chagas JCV, et al. Among authors: milanez bd.
J Comput Chem. 2024 May 5;45(12):863-877. doi: 10.1002/jcc.27296. Epub 2023 Dec 28.
J Comput Chem. 2024.
PMID: 38153839
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