Matches in SemOpenAlex for { <https://semopenalex.org/work/W2038132023> ?p ?o ?g. }
Showing items 1 to 95 of
95
with 100 items per page.
- W2038132023 abstract "The atomic structures and electronic properties of six classical and nonclassical @ fullerene regioisomers are systematically studied using the hybrid density functional B3LYP method and M06-2X method with empirical dispersion in conjunction with the 6-31G(d,p) basis sets. The charge transfer, frontier orbitals, dipole moment, energy gap between the HOMO and LUMO, and volume change of the cage are analyzed upon encapsulation of a molecule in each regioisomer. All encapsulation processes are endothermic and the relative stabilities of six fullerene regioisomers change upon encapsulation of ." @default.
- W2038132023 created "2016-06-24" @default.
- W2038132023 creator A5005020489 @default.
- W2038132023 creator A5012285110 @default.
- W2038132023 creator A5015476640 @default.
- W2038132023 date "2014-03-20" @default.
- W2038132023 modified "2023-09-25" @default.
- W2038132023 title "Analysis of Nonclassical Fullerene C24Regioisomers Encapsulating H2O using Hybrid Density Functional Methods B3LYP and M06-2X" @default.
- W2038132023 cites W11476871 @default.
- W2038132023 cites W1509721479 @default.
- W2038132023 cites W1510078769 @default.
- W2038132023 cites W1981017650 @default.
- W2038132023 cites W1985154199 @default.
- W2038132023 cites W1996386581 @default.
- W2038132023 cites W2000409254 @default.
- W2038132023 cites W2026773404 @default.
- W2038132023 cites W2046412723 @default.
- W2038132023 cites W2048152752 @default.
- W2038132023 cites W2066297094 @default.
- W2038132023 cites W2067786508 @default.
- W2038132023 cites W2069978763 @default.
- W2038132023 cites W2074915413 @default.
- W2038132023 cites W2091774717 @default.
- W2038132023 cites W2095452052 @default.
- W2038132023 cites W2121918593 @default.
- W2038132023 cites W2125876189 @default.
- W2038132023 cites W2143981217 @default.
- W2038132023 cites W2148284063 @default.
- W2038132023 cites W2150697053 @default.
- W2038132023 doi "https://doi.org/10.5012/bkcs.2014.35.3.899" @default.
- W2038132023 hasPublicationYear "2014" @default.
- W2038132023 type Work @default.
- W2038132023 sameAs 2038132023 @default.
- W2038132023 citedByCount "1" @default.
- W2038132023 countsByYear W20381320232016 @default.
- W2038132023 crossrefType "journal-article" @default.
- W2038132023 hasAuthorship W2038132023A5005020489 @default.
- W2038132023 hasAuthorship W2038132023A5012285110 @default.
- W2038132023 hasAuthorship W2038132023A5015476640 @default.
- W2038132023 hasBestOaLocation W20381320231 @default.
- W2038132023 hasConcept C139358910 @default.
- W2038132023 hasConcept C14158195 @default.
- W2038132023 hasConcept C147597530 @default.
- W2038132023 hasConcept C147789679 @default.
- W2038132023 hasConcept C150394285 @default.
- W2038132023 hasConcept C152365726 @default.
- W2038132023 hasConcept C162862793 @default.
- W2038132023 hasConcept C173523689 @default.
- W2038132023 hasConcept C178790620 @default.
- W2038132023 hasConcept C185592680 @default.
- W2038132023 hasConcept C202235601 @default.
- W2038132023 hasConcept C20976626 @default.
- W2038132023 hasConcept C32909587 @default.
- W2038132023 hasConcept C71240020 @default.
- W2038132023 hasConceptScore W2038132023C139358910 @default.
- W2038132023 hasConceptScore W2038132023C14158195 @default.
- W2038132023 hasConceptScore W2038132023C147597530 @default.
- W2038132023 hasConceptScore W2038132023C147789679 @default.
- W2038132023 hasConceptScore W2038132023C150394285 @default.
- W2038132023 hasConceptScore W2038132023C152365726 @default.
- W2038132023 hasConceptScore W2038132023C162862793 @default.
- W2038132023 hasConceptScore W2038132023C173523689 @default.
- W2038132023 hasConceptScore W2038132023C178790620 @default.
- W2038132023 hasConceptScore W2038132023C185592680 @default.
- W2038132023 hasConceptScore W2038132023C202235601 @default.
- W2038132023 hasConceptScore W2038132023C20976626 @default.
- W2038132023 hasConceptScore W2038132023C32909587 @default.
- W2038132023 hasConceptScore W2038132023C71240020 @default.
- W2038132023 hasLocation W20381320231 @default.
- W2038132023 hasOpenAccess W2038132023 @default.
- W2038132023 hasPrimaryLocation W20381320231 @default.
- W2038132023 hasRelatedWork W1657628090 @default.
- W2038132023 hasRelatedWork W1822925173 @default.
- W2038132023 hasRelatedWork W1981439893 @default.
- W2038132023 hasRelatedWork W2018755129 @default.
- W2038132023 hasRelatedWork W2060193683 @default.
- W2038132023 hasRelatedWork W2086286545 @default.
- W2038132023 hasRelatedWork W2474199786 @default.
- W2038132023 hasRelatedWork W2500228319 @default.
- W2038132023 hasRelatedWork W2803234021 @default.
- W2038132023 hasRelatedWork W2808487737 @default.
- W2038132023 hasRelatedWork W2883957848 @default.
- W2038132023 hasRelatedWork W2943928627 @default.
- W2038132023 hasRelatedWork W2966989560 @default.
- W2038132023 hasRelatedWork W2998448994 @default.
- W2038132023 hasRelatedWork W3138091999 @default.
- W2038132023 hasRelatedWork W3162769721 @default.
- W2038132023 hasRelatedWork W3196773498 @default.
- W2038132023 hasRelatedWork W3206912065 @default.
- W2038132023 hasRelatedWork W2784110724 @default.
- W2038132023 hasRelatedWork W850250300 @default.
- W2038132023 isParatext "false" @default.
- W2038132023 isRetracted "false" @default.
- W2038132023 magId "2038132023" @default.
- W2038132023 workType "article" @default.