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Definition of the halogen bond (IUPAC Recommendations 2013).
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This recommendation proposes a definition for the term “halogen bond”, which designates a specific subset of the inter- and intramolecular interactions involving a halogen atom in a molecular entity.
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“Many studies have highlighted the influence of halogen bonds (X-bonds) on enhancing binding affinity against several targets and the computational methods developed so far (Desiraju et al., 2013; Ford and Ho, 2016).”
From Empirical scoring functions for structure-based virtual screening: applications, critical aspects, and challenges (2018) · cites this paper as Desiraju et al., 2013
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Varadwaj, A., Varadwaj, P. R., & Jin, B. (2015) · International Journal of Quantum Chemistry · doi:10.1002/qua.24877 · Cited by 53
Organic alloys of room temperature liquids thiophenol and selenophenol
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Xu, Y., Viger‐Gravel, J., Korobkov, I., & Bryce, D. L. (2015) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.5b09737 · Cited by 54
Metadata
- Authors
- Desiraju, G. R., Ho, P. S., Kloo, L., Legon, A. C., Marquardt, R., Metrangolo, P., Politzer, P., Resnati, G., & Rissanen, K.
- Affiliations
- Indian Institute of Science Bangalore (IN)
- Colorado State University (US)
- KTH Royal Institute of Technology (SE)
- University of Bristol (GB)
- Institut de Chimie de Strasbourg (FR)
- Politecnico di Milano (IT)
- CleveTheoComp, 1951 W. 26th Street, Suite 409, Cleveland, OH 44113, USA
- University of Jyväskylä (FI)
- ORCID
- Venue
- Pure and Applied Chemistry
- Publisher
- Walter de Gruyter GmbH
- Published
- 2013-07-10
- Volume
- 85
- Issue
- 8
- Pages
- 1711-1713
- ISSN
- 0033-4545 (ISSN-L)
- 1365-3075
- OpenAlex
- W2094742663
- Cited by
- 1,957
- References
- 2
- Citations by year
- 2026: 103 · 2025: 149 · 2024: 175 · 2023: 155 · 2022: 162 · 2021: 203 · 2020: 187 · 2019: 173 · 2018: 155 · 2017: 144 · 2016: 134 · 2015: 111 · 2014: 87 · 2013: 19
- FWCI
- 73.81
- Type
- journal article
- Language
- en
- Open access
- bronze
- doi.org
- Locations
- Pure and Applied Chemistry (publishedVersion)
- NOT FOUND REPOSITORY (Indian Institute of Science Bangalore) (acceptedVersion)
- Virtual Community of Pathological Anatomy (University of Castilla La Mancha) (submittedVersion)
- Topics
- Physical Sciences › Chemistry › Physical and Theoretical Chemistry › Crystallography and molecular interactions
- Physical Sciences › Chemistry › Spectroscopy › Molecular Spectroscopy and Structure
- Physical Sciences › Chemistry › Physical and Theoretical Chemistry › Surface Chemistry and Catalysis
- Keywords
- halogen bonding, intermolecular interactions, intramolecular interactions, chemical terminology, IUPAC recommendations
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