Implementation and performance of the artificial force induced reaction method in the GRRM17 program

This article reports implementation and performance of the artificial force induced reaction (AFIR) method in the upcoming 2017 version of GRRM program (GRRM17). The AFIR method, which is one of automated reaction path search methods, induces geometrical deformations in a system by pushing or pullin...

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Detalles Bibliográficos
Autores principales: Maeda, Satoshi, Harabuchi, Yu, Takagi, Makito, Saita, Kenichiro, Suzuki, Kimichi, Ichino, Tomoya, Sumiya, Yosuke, Sugiyama, Kanami, Ono, Yuriko
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2017
Materias:
Software News and Updates
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5765425/
https://www.ncbi.nlm.nih.gov/pubmed/29135034
http://dx.doi.org/10.1002/jcc.25106

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5765425/
https://www.ncbi.nlm.nih.gov/pubmed/29135034
http://dx.doi.org/10.1002/jcc.25106

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