Computing the Anharmonic Vibrational Spectrum of UF6 in 15 Dimensions with an Optimized Basis Set and Rectangular Collocation
Author:
Affiliation:
1. Department of Mechanical Engineering, National University of Singapore, Block EA #07-08, 9 Engineering Drive 1, Singapore 117576
2. Department of Chemistry, Queen’s University, Chernoff Hall, 90 Bader Lane, Kingston, ON, Canada K7L 3N6
Funder
Natural Sciences and Engineering Research Council of Canada
Ministry of Education - Singapore
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.5b07627
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4. Isotope Effects
5. Measures of the environmental footprint of the front end of the nuclear fuel cycle
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