Ecosyste.ms: Papers

An open API service providing mapping between scientific papers and software projects that are mentioned in them.
All mentions data is based on the CZI Software Mentions dataset.

Projects: pypi: cclib

https://packages.ecosyste.ms/registries/pypi.org/packages/cclib

cclib: parsers and algorithms for computational chemistry
34 versions
Latest release: about 1 year ago
12 dependent packages
5,570 downloads last month

Papers Mentioning cclib 4

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on
Cited by: 61
Author(s): Noel M. O’Boyle, Rajarshi Guha, Egon Willighagen, Sam Adams, Jonathan Alvarsson, Jean‐Claude Bradley, Igor V. Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey Hutchison, Craig A. James, Nina Jeliazkova, Andrew S. Lang, Karol M. Langner, David Lonie, Daniel M. Lowe, Jérôme Pansanel, Д. С. Павлов, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray‐Rust
Software Mentions: 4
Published: about 13 years ago

10.1002/chem.201501727

Origin of Orthogonality of Strain‐Promoted Click Reactions
Cited by: 45
Author(s): J. Wagner, Davide Mercadante, Ivana Nikić, Edward A. Lemke, Frauke Gräter
Software Mentions: 1
Published: over 9 years ago

10.1002/cphc.202001053

Experimental Quantum Chemistry: A Hammett‐inspired Fingerprinting of Substituent Effects
Cited by: 7
Author(s): Francesco Sessa, Martina Olsson, Fredrik Söderberg, Fang Wang, Martin Rahm
Software Mentions: 1
Published: over 3 years ago

10.1038/s41597-020-00588-x

Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules
Cited by: 33
Author(s): Peter C. St. John, Yanfei Guan, Yeonjoon Kim, Brian D. Etz, Seonah Kim, Robert S. Paton
Software Mentions: 1
Published: over 4 years ago