Data for Quantum Chemical Topology and Natural Bond Orbital Analysis of M-O Covalency in M(OC6H5)4 (M = Ti, Zr, Hf, Ce, Th, Pa, U, Np)
Published: 20 May 2020| Version 1 | DOI: 10.17632/hhjb594rhj.1
Optimized geometries for Pa and Np systems and IQA data for all systems studied.
Steps to reproduce
Refer to paper.