The furan microsolvation blind challenge for quantum chemical methods: First steps
- Submitting institution
-
The University of Hull
- Unit of assessment
- 9 - Physics
- Output identifier
- 1396677
- Type
- D - Journal article
- DOI
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10.1063/1.5009011
- Title of journal
- The Journal of chemical physics
- Article number
- 014301
- First page
- -
- Volume
- 148
- Issue
- 1
- ISSN
- 0021-9606
- Open access status
- Compliant
- Month of publication
- January
- Year of publication
- 2018
- URL
-
-
- Supplementary information
-
-
- Request cross-referral to
- -
- Output has been delayed by COVID-19
- No
- COVID-19 affected output statement
- -
- Forensic science
- No
- Criminology
- No
- Interdisciplinary
- No
- Number of additional authors
-
27
- Research group(s)
-
-
- Citation count
- 26
- Proposed double-weighted
- No
- Reserve for an output with double weighting
- No
- Additional information
- -
- Author contribution statement
- Benoit is the author (along with co-author Ulusoy) of the entry C in the benchmark challenge, this involved extensive calculations that were performed at Hull on its high-performance computing facility. The work performed for entry C forms the core discussion and argument of the paper and as such is key to most of the conclusions of the study. Benoit also contributed to the redaction of the paper and its final proofreading.
- Non-English
- No
- English abstract
- -