Matches in SemOpenAlex for { <https://semopenalex.org/work/W2083395384> ?p ?o ?g. }
Showing items 1 to 100 of
100
with 100 items per page.
- W2083395384 endingPage "2259" @default.
- W2083395384 startingPage "2256" @default.
- W2083395384 abstract "Abstract The first and most important step in the study of properties and dynamics of atomic and molecular clusters is the determination of their microscopic structures. We have developed a new algorithm (Marchal et al., J Chem Phys 2009, 131, 114105), called global search algorithm of minima exploration, which includes two original schemes: the spheroidal generation, allowing the generation of rings, spheres, m‐rings cylinders and planar structures, and the raking optimization process allowing to discard step by step the conformations that become physically unrealistic during the optimization process. Using such an algorithm, the microscopic structure of the well‐known silicon clusters have been revisited as a test case as well as the doped Si n −1 Al ones. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010" @default.
- W2083395384 created "2016-06-24" @default.
- W2083395384 creator A5034188879 @default.
- W2083395384 creator A5083768160 @default.
- W2083395384 creator A5087630132 @default.
- W2083395384 date "2010-06-25" @default.
- W2083395384 modified "2023-10-18" @default.
- W2083395384 title "A global search algorithm of minima exploration for the investigation of low lying isomers of clusters from DFT-based potential energy surface. A theoretical study of Si<sub> <i>n</i> </sub> and Si<sub> <i>n</i> − 1</sub> Al clusters" @default.
- W2083395384 cites W1971575848 @default.
- W2083395384 cites W2001193112 @default.
- W2083395384 cites W2004112875 @default.
- W2083395384 cites W2008423326 @default.
- W2083395384 cites W2019801150 @default.
- W2083395384 cites W2020261774 @default.
- W2083395384 cites W2033553644 @default.
- W2083395384 cites W2055948118 @default.
- W2083395384 cites W2057153576 @default.
- W2083395384 cites W2057550111 @default.
- W2083395384 cites W2086027263 @default.
- W2083395384 cites W2149568574 @default.
- W2083395384 cites W3105621768 @default.
- W2083395384 doi "https://doi.org/10.1002/qua.22534" @default.
- W2083395384 hasPublicationYear "2010" @default.
- W2083395384 type Work @default.
- W2083395384 sameAs 2083395384 @default.
- W2083395384 citedByCount "11" @default.
- W2083395384 countsByYear W20833953842012 @default.
- W2083395384 countsByYear W20833953842013 @default.
- W2083395384 countsByYear W20833953842015 @default.
- W2083395384 countsByYear W20833953842017 @default.
- W2083395384 crossrefType "journal-article" @default.
- W2083395384 hasAuthorship W2083395384A5034188879 @default.
- W2083395384 hasAuthorship W2083395384A5083768160 @default.
- W2083395384 hasAuthorship W2083395384A5087630132 @default.
- W2083395384 hasBestOaLocation W20833953841 @default.
- W2083395384 hasConcept C111919701 @default.
- W2083395384 hasConcept C11413529 @default.
- W2083395384 hasConcept C121332964 @default.
- W2083395384 hasConcept C121684516 @default.
- W2083395384 hasConcept C121864883 @default.
- W2083395384 hasConcept C125277925 @default.
- W2083395384 hasConcept C134306372 @default.
- W2083395384 hasConcept C134786449 @default.
- W2083395384 hasConcept C147597530 @default.
- W2083395384 hasConcept C164752517 @default.
- W2083395384 hasConcept C185592680 @default.
- W2083395384 hasConcept C186633575 @default.
- W2083395384 hasConcept C192562407 @default.
- W2083395384 hasConcept C2524010 @default.
- W2083395384 hasConcept C2776799497 @default.
- W2083395384 hasConcept C32909587 @default.
- W2083395384 hasConcept C33923547 @default.
- W2083395384 hasConcept C41008148 @default.
- W2083395384 hasConcept C59593255 @default.
- W2083395384 hasConcept C62520636 @default.
- W2083395384 hasConcept C98045186 @default.
- W2083395384 hasConceptScore W2083395384C111919701 @default.
- W2083395384 hasConceptScore W2083395384C11413529 @default.
- W2083395384 hasConceptScore W2083395384C121332964 @default.
- W2083395384 hasConceptScore W2083395384C121684516 @default.
- W2083395384 hasConceptScore W2083395384C121864883 @default.
- W2083395384 hasConceptScore W2083395384C125277925 @default.
- W2083395384 hasConceptScore W2083395384C134306372 @default.
- W2083395384 hasConceptScore W2083395384C134786449 @default.
- W2083395384 hasConceptScore W2083395384C147597530 @default.
- W2083395384 hasConceptScore W2083395384C164752517 @default.
- W2083395384 hasConceptScore W2083395384C185592680 @default.
- W2083395384 hasConceptScore W2083395384C186633575 @default.
- W2083395384 hasConceptScore W2083395384C192562407 @default.
- W2083395384 hasConceptScore W2083395384C2524010 @default.
- W2083395384 hasConceptScore W2083395384C2776799497 @default.
- W2083395384 hasConceptScore W2083395384C32909587 @default.
- W2083395384 hasConceptScore W2083395384C33923547 @default.
- W2083395384 hasConceptScore W2083395384C41008148 @default.
- W2083395384 hasConceptScore W2083395384C59593255 @default.
- W2083395384 hasConceptScore W2083395384C62520636 @default.
- W2083395384 hasConceptScore W2083395384C98045186 @default.
- W2083395384 hasIssue "12" @default.
- W2083395384 hasLocation W20833953841 @default.
- W2083395384 hasLocation W20833953842 @default.
- W2083395384 hasLocation W20833953843 @default.
- W2083395384 hasOpenAccess W2083395384 @default.
- W2083395384 hasPrimaryLocation W20833953841 @default.
- W2083395384 hasRelatedWork W1979925556 @default.
- W2083395384 hasRelatedWork W1992899488 @default.
- W2083395384 hasRelatedWork W1995233943 @default.
- W2083395384 hasRelatedWork W2035963226 @default.
- W2083395384 hasRelatedWork W2036946924 @default.
- W2083395384 hasRelatedWork W2041653823 @default.
- W2083395384 hasRelatedWork W2899235184 @default.
- W2083395384 hasRelatedWork W3131436313 @default.
- W2083395384 hasRelatedWork W4366494132 @default.
- W2083395384 hasRelatedWork W4383872165 @default.
- W2083395384 hasVolume "110" @default.
- W2083395384 isParatext "false" @default.
- W2083395384 isRetracted "false" @default.
- W2083395384 magId "2083395384" @default.
- W2083395384 workType "article" @default.