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cclib: A library for package-independent computational chemistry algorithms

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title

cclib: A library for package-independent computational chemistry algorithms (English)

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main subject

computational mathematics

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1 reference

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computational chemistry

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1

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Karol M Langner

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Karol M. Langner

series ordinal

3

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author name string

Adam L. Tenderholt

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2

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publication date

2008

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published in

Journal of Computational Chemistry

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PubMed

volume

29

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page(s)

839-845

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issue

5

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cites work

The Blue Obelisk-interoperability in chemical informatics

1 reference

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.20823

retrieved

5 October 2021

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

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COCI

reference URL

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.20823

retrieved

5 October 2021

The GAMESS-UK electronic structure package: algorithms, developments and applications

1 reference

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COCI

reference URL

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.20823

retrieved

5 October 2021

FORTRAN interface for code interoperability in quantum chemistry: the Q5Cost library

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COCI

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https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.20823

retrieved

5 October 2021

General atomic and molecular electronic structure system

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COCI

reference URL

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.20823

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5 October 2021

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10.1002/JCC.20823

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journals/jcc/OBoyleTL08

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DBLP Dataset 2021-01-02

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28 January 2021

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release_fpxqiqij3rfipdt35mpizv7r6q

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24 November 2022

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PubMed ID

17849392

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ResearchGate publication ID

5991902

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(Q27144102)

cclib: A library for package-independent computational chemistry algorithms

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