The DOI matches its Crossref record; 8 of the 8 references it cites were found in a registry or an index.
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
Abstract
Analysis of electron wavefunction is a key component of quantum chemistry investigations and is indispensable for the practical research of many chemical problems. After more than ten years of active development, the wavefunction analysis program Multiwfn has accumulated very rich functions, and its application scope has covered numerous aspects of theoretical chemical research, including charge distribution, chemical bond, electron localization and delocalization, aromaticity, intramolecular and intermolecular interactions, electronic excitation, and response property. This article systematically introduces the features and functions of the latest version of Multiwfn and provides many representative examples. Through this article, readers will be able to fully understand the characteristics and recognize the unique value of Multiwfn. The source code and precompiled executable files of Multiwfn, as well as the manual containing a detailed introduction to theoretical backgrounds and very rich tutorials, can all be downloaded for free from the Multiwfn website (http://sobereva.com/multiwfn).
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Cites
VMD: visual molecular dynamics
Humphrey, W., Dalke, A., & Schulten, K. (1996) · Journal of Molecular Graphics · doi:10.1016/0263-7855(96)00018-5 · Cited by 66,952
A fast and robust algorithm for Bader decomposition of charge density
Henkelman, G., Arnaldsson, A., & Jónsson, H. (2006) · Computational Materials Science · doi:10.1016/j.commatsci.2005.04.010 · Cited by 10,723
Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein, F., Laino, T., Khaliullin, R. Z., Schütt, O., Schiffmann, F., et al. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0007045 · Cited by 4,468
Krygowski, T. M. (1993) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci00011a011 · Cited by 1,320
Which NICS Aromaticity Index for Planar π Rings Is Best?
Fallah-Bagher-Shaidaei, H., Wannere, C. S., Corminboeuf, C., Puchta, R., & Schleyer, P. V. R. (2006) · Organic Letters · doi:10.1021/ol0529546 · Cited by 1,257
Liu, Z., Lu, T., & Chen, Q. (2020) · Carbon · doi:10.1016/j.carbon.2020.04.099 · Cited by 429
Self-citation(2001) · Journal of the Chemical Society, Perkin Transactions 2 · doi:10.1039/b009809o · Cited by 219
An electronic aromaticity index for large rings
Matito, E. (2016) · Physical Chemistry Chemical Physics · doi:10.1039/c6cp00636a · Cited by 201
Cited by
Wu, Y., Yan, X., Liu, Z., Lu, T., Zhao, M., Xu, J., & Wang, J. (2024) · Chemistry – A European Journal · doi:10.1002/chem.202403369 · Cited by 28
Self-citationKakalejčíková, S., Bazeľ, Y., Drábiková, M., & Fizer, M. (2025) · Molecules · doi:10.3390/molecules30163334 · Cited by 4
Sun, L., Zuo, G., Sun, M., & Zheng, Y. (2026) · International Journal of Quantum Chemistry · doi:10.1002/qua.70192
Metadata
- Authors
- Lu, T.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2024-08-27
- Volume
- 161
- Issue
- 8
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W4401916766
- Cited by
- 5,213
- References
- 8
- FWCI
- 834.99
- Type
- journal article
- Language
- en
- Open access
- closed
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