Keyword: Molecular dynamics

2 records found.

Theoretically designed M diaza 2.2.2 cryptand complexes the role of non-covalent interactions in promoting NLO properties of organic electrides.pdf
Theoretically designed M@diaza[2.2.2]cryptand complexes: the role of non-covalent interactions in promoting NLO properties of organic electrides
Journal article
Creator
Atazaz Ahsin (author) (Search by this author)
Toyota Central R&D Labs. Inc
;
Aamna Qamar (author) (Search by this author)
;
Qing Lu (author) (Search by this author)
Beijing National Laboratory for Molecular Sciences, Chinese Academy of Sciences
;
Wensheng Bian (author) (Search by this author)
Beijing National Laboratory for Molecular Sciences, Chinese Academy of Sciences
Keyword
Electrides, Excess electrons, Optoelectronic, Molecular dynamics, DFT
Date published
2024-12-31
Updated at
2024-06-03 16:30:17 +0900

wakeda_intermetallics2024.pdf
Unusual energy–structure–property relation in a metallic glass coupled with temperature-dependent relaxation memories
Journal article
Creator
Masato Wakeda (author) (Search by this author)
ORCID SAMURAI ;
Junji Saida (author) (Search by this author)
Tohoku University
Keyword
Metallic glasses, Relaxation, Memory effect, Molecular dynamics, Supercooled liquid
Date published
2023-11-03
Updated at
2025-11-04 08:30:15 +0900