FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2017147092> ?p ?o ?g. }

• W2017147092 abstract "Many-body intermolecular interaction expansions provide a promising avenue for the efficient quantum mechanical treatment of molecular clusters and condensed-phase systems, but the computationally expensive three-body and higher terms are often nontrivial. When polar molecules are involved, these many-body terms are typically dominated by electrostatic induction effects, which can be approximated relatively easily. We demonstrate an accurate and inexpensive hybrid quantum/classical model in which one- and two-body interactions are computed quantum mechanically, while the many-body induction effects are approximated with a simple classical polarizable force field. Whereas typical hybrid quantum/classical models partition a system spatially into distinct quantum and classical regions, the model demonstrated here partitions based on the order in the many-body interaction series. This enables a spatially homogeneous treatment of the entire system, which could prove advantageous in studying a wide range of condensed-phase molecular systems." @default.
• W2017147092 created "2016-06-24" @default.
• W2017147092 creator A5040293891 @default.
• W2017147092 date "2009-04-28" @default.
• W2017147092 modified "2023-10-12" @default.
• W2017147092 title "Approximating quantum many-body intermolecular interactions in molecular clusters using classical polarizable force fields" @default.
• W2017147092 cites W1480171480 @default.
• W2017147092 cites W1598182021 @default.
• W2017147092 cites W1639588622 @default.
• W2017147092 cites W1695379209 @default.
• W2017147092 cites W1964357583 @default.
• W2017147092 cites W1966781625 @default.
• W2017147092 cites W1968344479 @default.
• W2017147092 cites W1975845692 @default.
• W2017147092 cites W1979206729 @default.
• W2017147092 cites W1983309313 @default.
• W2017147092 cites W1988464895 @default.
• W2017147092 cites W1990513268 @default.
• W2017147092 cites W1990717658 @default.
• W2017147092 cites W1991090765 @default.
• W2017147092 cites W1995970359 @default.
• W2017147092 cites W1996649201 @default.
• W2017147092 cites W1998613997 @default.
• W2017147092 cites W2000403946 @default.
• W2017147092 cites W2000573305 @default.
• W2017147092 cites W2002405239 @default.
• W2017147092 cites W2003193361 @default.
• W2017147092 cites W2006582810 @default.
• W2017147092 cites W2007701663 @default.
• W2017147092 cites W2009037260 @default.
• W2017147092 cites W2010514233 @default.
• W2017147092 cites W2014020841 @default.
• W2017147092 cites W2016828958 @default.
• W2017147092 cites W2025158009 @default.
• W2017147092 cites W2037210960 @default.
• W2017147092 cites W2040210009 @default.
• W2017147092 cites W2043535587 @default.
• W2017147092 cites W2044429791 @default.
• W2017147092 cites W2046009103 @default.
• W2017147092 cites W2050890227 @default.
• W2017147092 cites W2051094745 @default.
• W2017147092 cites W2051508284 @default.
• W2017147092 cites W2054556368 @default.
• W2017147092 cites W2056794837 @default.
• W2017147092 cites W2057274590 @default.
• W2017147092 cites W2058409402 @default.
• W2017147092 cites W2061395895 @default.
• W2017147092 cites W2063071203 @default.
• W2017147092 cites W2064142965 @default.
• W2017147092 cites W2064798852 @default.
• W2017147092 cites W2067499952 @default.
• W2017147092 cites W2069006374 @default.
• W2017147092 cites W2073401069 @default.
• W2017147092 cites W2076812125 @default.
• W2017147092 cites W2077501220 @default.
• W2017147092 cites W2090925878 @default.
• W2017147092 cites W2092950368 @default.
• W2017147092 cites W2095148640 @default.
• W2017147092 cites W2101217381 @default.
• W2017147092 cites W2108968495 @default.
• W2017147092 cites W2111182549 @default.
• W2017147092 cites W2117103384 @default.
• W2017147092 cites W2117466061 @default.
• W2017147092 cites W2120901082 @default.
• W2017147092 cites W2129359288 @default.
• W2017147092 cites W2129605224 @default.
• W2017147092 cites W2131164497 @default.
• W2017147092 cites W2140886907 @default.
• W2017147092 cites W2159010139 @default.
• W2017147092 cites W2167435874 @default.
• W2017147092 cites W4253436029 @default.
• W2017147092 doi "https://doi.org/10.1063/1.3121323" @default.
• W2017147092 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19405569" @default.
• W2017147092 hasPublicationYear "2009" @default.
• W2017147092 type Work @default.
• W2017147092 sameAs 2017147092 @default.
• W2017147092 citedByCount "100" @default.
• W2017147092 countsByYear W20171470922012 @default.
• W2017147092 countsByYear W20171470922013 @default.
• W2017147092 countsByYear W20171470922014 @default.
• W2017147092 countsByYear W20171470922015 @default.
• W2017147092 countsByYear W20171470922016 @default.
• W2017147092 countsByYear W20171470922017 @default.
• W2017147092 countsByYear W20171470922018 @default.
• W2017147092 countsByYear W20171470922019 @default.
• W2017147092 countsByYear W20171470922020 @default.
• W2017147092 countsByYear W20171470922021 @default.
• W2017147092 countsByYear W20171470922022 @default.
• W2017147092 countsByYear W20171470922023 @default.
• W2017147092 crossrefType "journal-article" @default.
• W2017147092 hasAuthorship W2017147092A5040293891 @default.
• W2017147092 hasConcept C121332964 @default.
• W2017147092 hasConcept C121864883 @default.
• W2017147092 hasConcept C139287275 @default.
• W2017147092 hasConcept C159467904 @default.
• W2017147092 hasConcept C166950319 @default.
• W2017147092 hasConcept C32909587 @default.
• W2017147092 hasConcept C62520636 @default.
• W2017147092 hasConcept C84114770 @default.
• W2017147092 hasConceptScore W2017147092C121332964 @default.

• next