Supporting Computational Data for Orbital Energy Mismatch Engenders High-Spin Ground States in Heterobimetallic Complexes.

Creators

Bess Vlaisavljevich, University of South DakotaFollow
Brian Finney, University of South DakotaFollow

Files

Document Type

Data

Funders

The Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Computational Chemical Science program

Grant Number

DE-SC0019463

Description

Output files for the CASPT2 calculations.

File Format

.tgz

Recommended Citation

Vlaisavljevich, Bess and Finney, Brian, "Supporting Computational Data for Orbital Energy Mismatch Engenders High-Spin Ground States in Heterobimetallic Complexes." (2020). Data and Datasets. 1.
https://red.library.usd.edu/data/1