Tests of exchange-correlation functional approximations against reliable experimental data for average bond energies of 3d transition metal compounds

Wenjing Zhang, Donald G Truhlar, Mingsheng Tang

Research output: Contribution to journal › Article › peer-review

96 Scopus citations

1 results

Finished
NMGC: Nanoporous Materials Genome: Methods and Software to Optimize Gas Storage, Separations, and Catalysis (Phase 1)
Siepmann, I., Cramer, C., Gagliardi, L., Truhlar, D. G., Tsapatsis, M. & Goodpaster, J. D.
9/1/12 → 8/31/17
Project: Research project