A compact and accurate semi-global potential energy surface for malonaldehyde from constrained least squares regression
Author:
Affiliation:
1. School of Chemistry, University of Bristol, Bristol BS8 1TS, United Kingdom
2. Department of Chemistry and Centre for Scientific Computing, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom
Funder
European Research Council (ERC)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4897486
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