Found an issue? Give us feedback

ZENODOarrow_drop_down

ZENODO

Software . 2020

Data sources: ZENODO

Select content type to embed

All Research products

arrow_drop_down

<script type="text/javascript">
<!--
document.write('<div id="oa_widget"></div>');
document.write('<script type="text/javascript" src="https://www.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=undefined&type=result"></script>');
-->
</script>

COPY SCRIPT

For further information contact us at helpdesk@openaire.eu

HaoZeke/wailord: Wailmer: Quantum Chem Basics

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 15 Dec 2020Publisher:Zenodo

Authors: Rohit Goswami; pyup.io bot;

doi: 10.5281/zenodo.4322298

HaoZeke/wailord: Wailmer: Quantum Chem Basics

- Summary
- Related research
  (1)
- Metrics

Abstract

This release completes the following workflows (output --> dataframes): IR Spectra Energy surfaces (geometry / param) Single point calculations Multi-run generators Also includes generic syntax helpers for block and keyword inputs, along with validated input generators for the workflows described above. First Zenodo release!

1 Research products, page 1 of 1

HaoZeke/wailord: Wailmer: LVL 5
integration_instructionsResearch software2020IsVersionOf
linkLink to
shareshareShare
citeCite
addClaim
Please grant OpenAIRE to access and update your ORCID works.
This Research product is the result of merged Research products in OpenAIRE.

You have already added works in your ORCID record related to the merged Research product.
This Research product is the result of merged Research products in OpenAIRE.

You have already added works in your ORCID record related to the merged Research product.
Select content type to embed
All Research products
arrow_drop_down
<script type="text/javascript">  </script>
COPY SCRIPT
For further information contact us at helpdesk@openaire.eu
more_vert
linkLink to
shareshareShare
citeCite
addClaim
Please grant OpenAIRE to access and update your ORCID works.
This Research product is the result of merged Research products in OpenAIRE.

You have already added works in your ORCID record related to the merged Research product.
This Research product is the result of merged Research products in OpenAIRE.

You have already added works in your ORCID record related to the merged Research product.
Select content type to embed
All Research products
arrow_drop_down
<script type="text/javascript">  </script>
COPY SCRIPT
For further information contact us at helpdesk@openaire.eu

Impact byBIP!

	citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	0
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Average
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Average
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Average

Usage byUsageCounts

visibility

views

19
views
Powered by

Found an issue? Give us feedback

visibility

Average

HaoZeke/wailord: Wailmer: Quantum Chem Basics

HaoZeke/wailord: Wailmer: Quantum Chem Basics

1 Research products, page 1 of 1

HaoZeke/wailord: Wailmer: LVL 5