ab initio simulations with ORCA

ab initio and density functional theory calculations dedicated to molecular systems

Bibliographic Details
Main Authors: Onofrio, Nicolas, Strachan, Alejandro
Format: Article in Journal/Newspaper
Language:English
Published: nanoHUB 2018
Subjects:
Online Access:https://dx.doi.org/10.4231/d32r3p00r
https://nanohub.org/resources/22577?rev=33
Description
Summary:ab initio and density functional theory calculations dedicated to molecular systems