The DOI matches its Crossref record; 27 of the 27 references it cites were found in a registry or an index.
OctaDist: a tool for calculating distortion parameters in spin crossover and coordination complexes
Open accessAbstract
OctaDist, a program for calculating three common octahedral distortion parameters, is presented and the calculation of the trigonal distortion parameter,Θ is standardized for the first time.
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Cites
Crystal structure refinement with SHELXL
Sheldrick, G. M. (2015) · Acta Crystallographica Section C Structural Chemistry · doi:10.1107/s2053229614024218 · Cited by 43,982
Matplotlib: a 2D graphics environment
Hunter, J. D. (2007) · Computing in Science & Engineering · doi:10.1109/mcse.2007.55 · Cited by 39,249
SciPy 1.0: fundamental algorithms for scientific computing in Python
Virtanen, P., Gommers, R., Oliphant, T. E., Haberland, M., Reddy, T., Cournapeau, D., Burovski, E., Peterson, P., Weckesser, W., Bright, J., et al. (2020) · Nature Methods · doi:10.1038/s41592-019-0686-2 · Cited by 38,430
OLEX2 : a complete structure solution, refinement and analysis program
Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K., & Puschmann, H. (2009) · Journal of Applied Crystallography · doi:10.1107/s0021889808042726 · Cited by 32,811
Harris, C. R., Millman, K. J., van der Walt, S. J., Gommers, R., Virtanen, P., Cournapeau, D., Wieser, E., Taylor, J., Berg, S., Smith, N. J., et al. (2020) · Nature · doi:10.1038/s41586-020-2649-2 · Cited by 23,826
Harris, C., Millman, K., van der Walt, S., Gommers, R., Virtanen, P., Cournapeau, D., Wieser, E., Taylor, J., Berg, S., Smith, N., et al. (2020) · RePEc: Research Papers in Economics · Cited by 17,844
Neese, F. (2012) · WIREs Computational Molecular Science · doi:10.1002/wcms.81 · Cited by 13,466
SciPy 1.0: fundamental algorithms for scientific computing in Python
Virtanen, P., Gommers, R., Oliphant, T. E., Haberland, M., Reddy, T., Cournapeau, D., Burovski, E., Peterson, P., Weckesser, W., Bright, J., et al. (2019) · Apollo - University of Cambridge Repository · doi:10.17863/cam.64134 · Cited by 10,460
The Cambridge Structural Database
Groom, C. R., Bruno, I. J., Lightfoot, M. P., & Ward, S. C. (2016) · Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials · doi:10.1107/s2052520616003954 · Cited by 10,297
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
Valiev, M., Bylaska, E. J., Govind, N., Kowalski, K., Straatsma, T. P., Van Dam, H. J. J., Wang, D., Nieplocha, J., Apra, E., Windus, T. L., et al. (2010) · Computer Physics Communications · doi:10.1016/j.cpc.2010.04.018 · Cited by 5,779
Metadata
- Authors
- Ketkaew, R., Tantirungrotechai, Y., Harding, P., Chastanet, G., Guionneau, P., Marchivie, M., & Harding, D. J.
- Venue
- Dalton Transactions
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2021
- Volume
- 50
- Issue
- 3
- Pages
- 1086-1096
- ISSN
- 1477-9226 (ISSN-L)
- 1477-9234
- OpenAlex
- W3112746376
- Cited by
- 316
- References
- 27
- FWCI
- 24.09
- Type
- journal article
- Language
- en
- Open access
- green
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- Ketkaew, R., Tantirungrotechai, Y., Harding, P., Chastanet, G., Guionneau, P., Marchivie, M., & Harding, D. J. (2021). OctaDist: a tool for calculating distortion parameters in spin crossover and coordination complexes. Dalton Transactions. https://doi.org/10.1039/d0dt03988h
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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