Validation of potential energy distribution by VEDA in vibrational assignment some of β-diketones; comparison of theoretical predictions and experimental vibration shifts upon deutration

Publication date: Available online 24 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Vahidreza Darugar, Mohammad Vakili, Sayyed Faramarz Tayyari, Fadhil S. Kamounah
Source: Journal of Molecular Graphics and Modelling - Category: Molecular Biology Source Type: research