FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2769451457> ?p ?o ?g. }

• W2769451457 endingPage "251" @default.
• W2769451457 startingPage "233" @default.
• W2769451457 abstract "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 pulling fragments defined in the system by an artificial force. In GRRM17, three different algorithms, that is, multicomponent algorithm (MC-AFIR), single-component algorithm (SC-AFIR), and double-sphere algorithm (DS-AFIR), are available, where the MC-AFIR was the only algorithm which has been available in the previous 2014 version. The MC-AFIR does automated sampling of reaction pathways between two or more reactant molecules. The SC-AFIR performs automated generation of global or semiglobal reaction path network. The DS-AFIR finds a single path between given two structures. Exploration of minimum energy structures within the hypersurface in which two different electronic states degenerate, and an interface with the quantum mechanics/molecular mechanics method, are also described. A code termed SAFIRE will also be available, as a visualization software for complicated reaction path networks. © 2017 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc." @default.
• W2769451457 created "2017-12-04" @default.
• W2769451457 creator A5005148680 @default.
• W2769451457 creator A5007539161 @default.
• W2769451457 creator A5008006008 @default.
• W2769451457 creator A5019187771 @default.
• W2769451457 creator A5039273638 @default.
• W2769451457 creator A5051549312 @default.
• W2769451457 creator A5070699401 @default.
• W2769451457 creator A5075697374 @default.
• W2769451457 creator A5089644812 @default.
• W2769451457 date "2017-11-14" @default.
• W2769451457 modified "2023-10-17" @default.
• W2769451457 title "Implementation and performance of the artificial force induced reaction method in the GRRM17 program" @default.
• W2769451457 cites W1849940345 @default.
• W2769451457 cites W1965087316 @default.
• W2769451457 cites W1966025389 @default.
• W2769451457 cites W1970638471 @default.
• W2769451457 cites W1972755567 @default.
• W2769451457 cites W1979394106 @default.
• W2769451457 cites W1982368957 @default.
• W2769451457 cites W1982497888 @default.
• W2769451457 cites W1987762141 @default.
• W2769451457 cites W1988125586 @default.
• W2769451457 cites W1992173555 @default.
• W2769451457 cites W1993012728 @default.
• W2769451457 cites W1994956487 @default.
• W2769451457 cites W1998206772 @default.
• W2769451457 cites W2000487007 @default.
• W2769451457 cites W2002709436 @default.
• W2769451457 cites W2007663400 @default.
• W2769451457 cites W2008842340 @default.
• W2769451457 cites W2013218058 @default.
• W2769451457 cites W2021480093 @default.
• W2769451457 cites W2022950330 @default.
• W2769451457 cites W2024082063 @default.
• W2769451457 cites W2024178262 @default.
• W2769451457 cites W2024524738 @default.
• W2769451457 cites W2026334836 @default.
• W2769451457 cites W2027611895 @default.
• W2769451457 cites W2027801610 @default.
• W2769451457 cites W2029417263 @default.
• W2769451457 cites W2029778093 @default.
• W2769451457 cites W2035220448 @default.
• W2769451457 cites W2036647904 @default.
• W2769451457 cites W2040249893 @default.
• W2769451457 cites W2049136142 @default.
• W2769451457 cites W2062920273 @default.
• W2769451457 cites W2069819062 @default.
• W2769451457 cites W2069924395 @default.
• W2769451457 cites W2080051268 @default.
• W2769451457 cites W2080183275 @default.
• W2769451457 cites W2080969451 @default.
• W2769451457 cites W2084252775 @default.
• W2769451457 cites W2088010696 @default.
• W2769451457 cites W2091200458 @default.
• W2769451457 cites W2091514273 @default.
• W2769451457 cites W2092121362 @default.
• W2769451457 cites W2094741303 @default.
• W2769451457 cites W2095132231 @default.
• W2769451457 cites W2099428582 @default.
• W2769451457 cites W2109455667 @default.
• W2769451457 cites W2113830115 @default.
• W2769451457 cites W2114860509 @default.
• W2769451457 cites W2122427541 @default.
• W2769451457 cites W2135173718 @default.
• W2769451457 cites W2138609803 @default.
• W2769451457 cites W2142951412 @default.
• W2769451457 cites W2143198425 @default.
• W2769451457 cites W2151403951 @default.
• W2769451457 cites W2158177761 @default.
• W2769451457 cites W2159957594 @default.
• W2769451457 cites W2229803905 @default.
• W2769451457 cites W2242932006 @default.
• W2769451457 cites W2314505583 @default.
• W2769451457 cites W2316723597 @default.
• W2769451457 cites W2328513180 @default.
• W2769451457 cites W2331525021 @default.
• W2769451457 cites W2419124599 @default.
• W2769451457 cites W2531319286 @default.
• W2769451457 cites W2581454664 @default.
• W2769451457 cites W2591083536 @default.
• W2769451457 cites W2611219908 @default.
• W2769451457 cites W270771733 @default.
• W2769451457 cites W2950354362 @default.
• W2769451457 cites W3103206204 @default.
• W2769451457 cites W4211194514 @default.
• W2769451457 cites W4238387639 @default.
• W2769451457 doi "https://doi.org/10.1002/jcc.25106" @default.
• W2769451457 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5765425" @default.
• W2769451457 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29135034" @default.
• W2769451457 hasPublicationYear "2017" @default.
• W2769451457 type Work @default.
• W2769451457 sameAs 2769451457 @default.
• W2769451457 citedByCount "140" @default.
• W2769451457 countsByYear W27694514572018 @default.
• W2769451457 countsByYear W27694514572019 @default.
• W2769451457 countsByYear W27694514572020 @default.

• next