Co-operativity in non-covalent interactions in ternary complexes: a comprehensive electronic structure theory based investigation
Journal of Molecular Modeling, ISSN: 0948-5023, Vol: 24, Issue: 9, Page: 258
2018
- 4Citations
- 2Captures
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Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
Citation Benchmarking is provided by Scopus and SciVal and is different from the metrics context provided by PlumX Metrics.
Article Description
The structure and stability of various ternary complexes in which an extended aromatic system such as coronene interacts with ions/atoms/molecules on opposite faces of the π-electron cloud were investigated using ab initio calculations. By characterizing the nature of the intermolecular interactions using an energy decomposition analysis, it was shown that there is an interplay between various types of interactions and that there are co-operativity effects, particularly when different types of interactions coexist in the same system. [Figure not available: see fulltext.].
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=85053011679&origin=inward; http://dx.doi.org/10.1007/s00894-018-3796-3; http://www.ncbi.nlm.nih.gov/pubmed/30159795; http://link.springer.com/10.1007/s00894-018-3796-3; https://dx.doi.org/10.1007/s00894-018-3796-3; https://link.springer.com/article/10.1007/s00894-018-3796-3
Springer Science and Business Media LLC
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