Benchmark-Quality Atomization Energies for BeH and BeH2
Author:
Affiliation:
1. Department of Chemistry, The University of Alabama, Shelby Hall, Tuscaloosa, Alabama 35487-0336, United States
2. Department of Chemistry, Washington State University, Pullman, Washington 99164-4630 United States
Funder
Basic Energy Sciences
Robert Ramsay Chair Fund, University of Alabama
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b01154
Reference62 articles.
1. The Vibration-Rotation Emission Spectrum of Free BeH 2
2. Reactions of beryllium atoms with hydrogen. Matrix infrared spectra of novel product molecules
3. Ab initio prediction of the potential energy surface and vibration-rotation energy levels of BeH2
4. Infrared emission spectra of BeH2 and BeD2
5. An accurate ab initio potential energy surface and calculated spectroscopic constants for BeH2, BeD2, and BeHD
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