Matches in SemOpenAlex for { <https://semopenalex.org/work/W2015563863> ?p ?o ?g. }
- W2015563863 endingPage "29" @default.
- W2015563863 startingPage "24" @default.
- W2015563863 abstract "Abstract Multireference ab initio methods and generalized gradient approximation functional predict that the ground state of Ru2 is 5 Σ g + state. However, hybrid functionals cannot predict the ground state correctly due to unreasonable overstabilization of high spin states. To calculate the relative energy order of the electronic states of Ru2, it is essential to consider the dynamic correlation effect using a basis set of reasonable size. Only multireference configurational interaction method can reasonably calculate the bond dissociation energy of Ru2. The ground state of Ru2 has a quadruple bond." @default.
- W2015563863 created "2016-06-24" @default.
- W2015563863 creator A5049129395 @default.
- W2015563863 creator A5067670132 @default.
- W2015563863 date "2014-01-01" @default.
- W2015563863 modified "2023-09-25" @default.
- W2015563863 title "Density functional and multireference ab initio study of the ground and excited states of Ru2" @default.
- W2015563863 cites W1965092590 @default.
- W2015563863 cites W1965603563 @default.
- W2015563863 cites W1974058141 @default.
- W2015563863 cites W1975469549 @default.
- W2015563863 cites W1980274634 @default.
- W2015563863 cites W1980473944 @default.
- W2015563863 cites W1982356449 @default.
- W2015563863 cites W1996814495 @default.
- W2015563863 cites W1997041494 @default.
- W2015563863 cites W1999585761 @default.
- W2015563863 cites W2001640490 @default.
- W2015563863 cites W2003320348 @default.
- W2015563863 cites W2004687181 @default.
- W2015563863 cites W2012778107 @default.
- W2015563863 cites W2017344081 @default.
- W2015563863 cites W2020217652 @default.
- W2015563863 cites W2022950330 @default.
- W2015563863 cites W2023271753 @default.
- W2015563863 cites W2030976617 @default.
- W2015563863 cites W2032436962 @default.
- W2015563863 cites W2034124623 @default.
- W2015563863 cites W2034449513 @default.
- W2015563863 cites W2042451880 @default.
- W2015563863 cites W2044268702 @default.
- W2015563863 cites W2045657443 @default.
- W2015563863 cites W2052082029 @default.
- W2015563863 cites W2060195350 @default.
- W2015563863 cites W2063622499 @default.
- W2015563863 cites W2076641393 @default.
- W2015563863 cites W2076729345 @default.
- W2015563863 cites W2079604487 @default.
- W2015563863 cites W2082917109 @default.
- W2015563863 cites W2086957099 @default.
- W2015563863 cites W2091901663 @default.
- W2015563863 cites W2094508448 @default.
- W2015563863 cites W2095138836 @default.
- W2015563863 cites W2114496999 @default.
- W2015563863 cites W2134002147 @default.
- W2015563863 cites W2143981217 @default.
- W2015563863 cites W2230728100 @default.
- W2015563863 cites W3005361642 @default.
- W2015563863 doi "https://doi.org/10.1016/j.cplett.2013.12.002" @default.
- W2015563863 hasPublicationYear "2014" @default.
- W2015563863 type Work @default.
- W2015563863 sameAs 2015563863 @default.
- W2015563863 citedByCount "10" @default.
- W2015563863 countsByYear W20155638632014 @default.
- W2015563863 countsByYear W20155638632015 @default.
- W2015563863 countsByYear W20155638632016 @default.
- W2015563863 countsByYear W20155638632017 @default.
- W2015563863 countsByYear W20155638632019 @default.
- W2015563863 countsByYear W20155638632022 @default.
- W2015563863 countsByYear W20155638632023 @default.
- W2015563863 crossrefType "journal-article" @default.
- W2015563863 hasAuthorship W2015563863A5049129395 @default.
- W2015563863 hasAuthorship W2015563863A5067670132 @default.
- W2015563863 hasConcept C101848323 @default.
- W2015563863 hasConcept C121332964 @default.
- W2015563863 hasConcept C147597530 @default.
- W2015563863 hasConcept C152365726 @default.
- W2015563863 hasConcept C178790620 @default.
- W2015563863 hasConcept C181500209 @default.
- W2015563863 hasConcept C184779094 @default.
- W2015563863 hasConcept C185592680 @default.
- W2015563863 hasConcept C2777529809 @default.
- W2015563863 hasConcept C2781442258 @default.
- W2015563863 hasConcept C2993396156 @default.
- W2015563863 hasConceptScore W2015563863C101848323 @default.
- W2015563863 hasConceptScore W2015563863C121332964 @default.
- W2015563863 hasConceptScore W2015563863C147597530 @default.
- W2015563863 hasConceptScore W2015563863C152365726 @default.
- W2015563863 hasConceptScore W2015563863C178790620 @default.
- W2015563863 hasConceptScore W2015563863C181500209 @default.
- W2015563863 hasConceptScore W2015563863C184779094 @default.
- W2015563863 hasConceptScore W2015563863C185592680 @default.
- W2015563863 hasConceptScore W2015563863C2777529809 @default.
- W2015563863 hasConceptScore W2015563863C2781442258 @default.
- W2015563863 hasConceptScore W2015563863C2993396156 @default.
- W2015563863 hasFunder F4320321379 @default.
- W2015563863 hasLocation W20155638631 @default.
- W2015563863 hasOpenAccess W2015563863 @default.
- W2015563863 hasPrimaryLocation W20155638631 @default.
- W2015563863 hasRelatedWork W1963611537 @default.
- W2015563863 hasRelatedWork W1992268193 @default.
- W2015563863 hasRelatedWork W2002561246 @default.
- W2015563863 hasRelatedWork W2035087097 @default.
- W2015563863 hasRelatedWork W2046829376 @default.
- W2015563863 hasRelatedWork W2066711016 @default.
- W2015563863 hasRelatedWork W2080247600 @default.
- W2015563863 hasRelatedWork W2089480095 @default.
- W2015563863 hasRelatedWork W2319366506 @default.