Machine-learning descriptor search on the density of states profile of bimetallic alloy systems and comparison with the d-band center theory

von Ishikawa, Atsushi
Veröffentlicht in: Journal of computational chemistry (2024)

Reaction energy benchmarks of hydrocarbon combustion by Gaussian basis and plane wave basis approaches

von Ishikawa, Atsushi
Veröffentlicht in: Journal of computational chemistry (2019)

XPS of oxygen atoms on Ag(111) and Ag(110) surfaces accurate study with SAC/SAC-CI combined with dipped adcluster model

von Ishikawa, Atsushi
Veröffentlicht in: Journal of computational chemistry (2013)