"Quantitative decomposition of resonance-assisted hydrogen bond energy in ..."

Andrei V. Afonin, Alexander V. Vashchenko (2020)

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DOI: 10.1002/JCC.26175

access: closed

type: Journal Article

metadata version: 2020-05-30

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Andrei V. Afonin, Alexander V. Vashchenko:
Quantitative decomposition of resonance-assisted hydrogen bond energy in β-diketones into resonance and hydrogen bonding (π- and σ-) components using molecular tailoring and function-based approaches. J. Comput. Chem. 41(13): 1285-1298 (2020)

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