2 records found.
Numerical atomic basis orbitals from H to Kr
- Journal article
- Creator
-
;T. Ozaki (author) (Search by this author)H. Kino (author) (Search by this author)National Institute for Materials Science
- Keyword
- OpenMX, first-principles calculation, DFT, LCAO, numerical atomic basis, benchmark, molecules, bulks
- Date published
- 2004-05-28
- Updated at
- 2024-01-05 22:11:39 +0900
Liquid electrolyte informatics using an exhaustive search with linear regression
- Dataset
- Creator
-
SODEYAMA, Keitaro (author) (Search by this author)National Institute for Materials Science
;
IGARASHI, Yasuhiko (author) (Search by this author)
https://orcid.org/0000-0003-1042-6657
(unauthenticated)
;
NAKAYAMA, Tomofumi (author) (Search by this author)
https://orcid.org/0000-0003-1240-3571
(unauthenticated)
;
TATEYAMA, Yoshitaka (author) (Search by this author)National Institute for Materials Science
;
OKADA, Masato (author) (Search by this author)
https://orcid.org/0000-0002-9040-8784
(unauthenticated)
- Keyword
- molecules, Li-ion battery, quantum chemistry calculations, materials informatics, Gaussian09, organic solvents
- Date published
- 2018-06-14
- Updated at
- 2024-02-08 17:54:30 +0900