Reaction Space Projector (ReSPer) for Visualizing Dynamic Reaction Routes Based on Reduced-Dimension Space.

Tsutsumi, Takuro; Ono, Yuriko; Taketsugu, Tetsuya

Tsutsumi, Takuro; Ono, Yuriko; Taketsugu, Tetsuya.

Afiliação

Tsutsumi T; Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo, 060-0810, Japan.
Ono Y; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Sapporo, 001-0021, Japan.
Taketsugu T; Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo, 060-0810, Japan. take@sci.hokudai.ac.jp.

Top Curr Chem (Cham) ; 380(3): 19, 2022 Mar 10.

Article em En | MEDLINE | ID: mdl-35266073

Palavras-chave

Dimensionality reduction; On-the-fly molecular dynamics; Reaction path network; Reaction space projector

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Top Curr Chem (Cham) Ano de publicação: 2022 Tipo de documento: Article

Texto completo

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PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Top Curr Chem (Cham) Ano de publicação: 2022 Tipo de documento: Article