Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methods
Author:
Affiliation:
1. Department of Chemistry, University of Copenhagen, Copenhagen, Denmark
2. Department of Chemistry and Bioscience, Aalborg University, Aalborg, Denmark
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5047273
Reference35 articles.
1. Quantum Mechanical Continuum Solvation Models
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5. Fast solvent screening via quantum chemistry: COSMO-RS approach
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