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: 20-05-2020| Version 1 | DOI: 10.17632/hhjb594rhj.1
Contributors:
Victoria Berryman,
Nikolas Kaltsoyannis

Description

Optimized geometries for Pa and Np systems and IQA data for all systems studied.

Steps to reproduce

Refer to paper.