Quantifying Fluctuations of Average Solvent Environments for Embedding Calculations
Published inJournal of chemical theory and computation, vol. 18, no. 2, p. 1072-1088
Publication date2022-01-19
First online date2022-01-19
Abstract
Keywords
- Approximation
- Chemical calculations
- Embedding
- Solution chemistry
- Solvents
Affiliation entities
Citation (ISO format)
GONZALEZ ESPINOZA, Cristina et al. Quantifying Fluctuations of Average Solvent Environments for Embedding Calculations. In: Journal of chemical theory and computation, 2022, vol. 18, n° 2, p. 1072–1088. doi: 10.1021/acs.jctc.1c01108
Main files (1)
Article (Published version)
Identifiers
- PID : unige:180196
- DOI : 10.1021/acs.jctc.1c01108
- PMID : 35044168
Commercial URLhttps://pubs.acs.org/doi/10.1021/acs.jctc.1c01108
ISSN of the journal1549-9618