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:
Orca
Online Access:https://dx.doi.org/10.4231/d32r3p00r
https://nanohub.org/resources/22577?rev=33
id ftdatacite:10.4231/d32r3p00r
record_format openpolar
spelling ftdatacite:10.4231/d32r3p00r 2023-05-15T17:53:09+02:00 ab initio simulations with ORCA Onofrio, Nicolas Strachan, Alejandro 2018 https://dx.doi.org/10.4231/d32r3p00r https://nanohub.org/resources/22577?rev=33 en eng nanoHUB Software Simulation Tool article SoftwareSourceCode 2018 ftdatacite https://doi.org/10.4231/d32r3p00r 2021-11-05T12:55:41Z ab initio and density functional theory calculations dedicated to molecular systems Article in Journal/Newspaper Orca DataCite Metadata Store (German National Library of Science and Technology)
institution Open Polar
collection DataCite Metadata Store (German National Library of Science and Technology)
op_collection_id ftdatacite
language English
description ab initio and density functional theory calculations dedicated to molecular systems
format Article in Journal/Newspaper
author Onofrio, Nicolas
Strachan, Alejandro
spellingShingle Onofrio, Nicolas
Strachan, Alejandro
ab initio simulations with ORCA
author_facet Onofrio, Nicolas
Strachan, Alejandro
author_sort Onofrio, Nicolas
title ab initio simulations with ORCA
title_short ab initio simulations with ORCA
title_full ab initio simulations with ORCA
title_fullStr ab initio simulations with ORCA
title_full_unstemmed ab initio simulations with ORCA
title_sort ab initio simulations with orca
publisher nanoHUB
publishDate 2018
url https://dx.doi.org/10.4231/d32r3p00r
https://nanohub.org/resources/22577?rev=33
genre Orca
genre_facet Orca
op_doi https://doi.org/10.4231/d32r3p00r
_version_ 1766160874695819264

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