Published April 29, 2022 | Version v1
Dataset Open

[Mo2O2S4]- minima with AutoMeKin

Creators

  • 1. Universidade de Santiago de Compostela

Description

Minima of the [Mo2O2S4]- system calculated with AutoMeKin: 

Low-level: PM7

High-level: b3lyp-d3/def2tzvp

Files

DFT.zip

Files (9.6 MB)

Name Size Download all
md5:b683bfcd42e3021166259d67a514bb43
4.5 MB Preview Download
md5:c0bb2a716585fdbc2e0fdfb09025407d
5.1 MB Preview Download