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ABSTRACT:
SUBMITTER: Mierzwa G
PROVIDER: S-EPMC7220893 | biostudies-literature | 2020 May
REPOSITORIES: biostudies-literature
Mierzwa Grzegorz G Gordon Agnieszka J AJ Berski Slawomir S
Journal of molecular modeling 20200513 6
Local nature of the boron-nitrogen (BN) bonding with different formal multiplicities (B≡N, B=N, B-N) have been investigated for 25 experimentally established organoboron molecules in both real and the Hilbert space, using topological analysis of electron localization function (ELF), electron density (AIM), and natural bond orbital (NBO) method. Each BN bond has been represented (ELF) by the bonding disynaptic attractor V(B,N), with the basin electron population between 5.72e and 1.83e, confirmin ...[more]