Setiau Data Ymchwil (4)
Research Area
Dyddiad (y flwyddyn) pryd y daeth y data ar gael i'r cyhoedd
A quantitative approach to predicting rate constants for aqueous racemization allows pointless stereoselective syntheses to be avoided - Ballard A, Buurma NJ (2017). Cardiff University. 10.17035/d.2017.0043106638.
Computational timings of Traditional and Quasi-Variational Coupled-Cluster methods - Black JA, Knowles PJ (2017). Cardiff University. 10.17035/d.2017.0038224453.
Single point energies and statistics for the CRBH20, BHPERI, DARC, ISOMER20, O3ADD6 and CRIEGEE databases - Black JA, Knowles PJ (2017). Cardiff University. 10.17035/d.2017.0038224181.
Spectroscopic constants for third-row diatomics, calculated with single- and multi-reference methods - Black JA, Knowles PJ (2017). Cardiff University. 10.17035/d.2017.0038224345.