Ab initio study of hydrogen bonding in the H3PO2 dimer and H3PO2-DMF complex.
Fedorova IV, Safonova LP.
Fedorova IV, et al.
J Mol Model. 2017 Aug;23(8):220. doi: 10.1007/s00894-017-3393-x. Epub 2017 Jul 8.
J Mol Model. 2017.
PMID: 28688005
Various correlations were found between geometric characteristics and parameters derived from Bader's theory and natural bond orbital analysis. Graphical abstract Irina V. Fedorova and Lyubov P. Safonova. Ab initio study of hydrogen bonding in the H(3)PO(2) dimer and H(3)P …
Various correlations were found between geometric characteristics and parameters derived from Bader's theory and natural bond orbital analys …