FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2003551738> ?p ?o ?g. }

• W2003551738 endingPage "78" @default.
• W2003551738 startingPage "72" @default.
• W2003551738 abstract "In this paper, the reactions of nitrone, N-methyl nitrone, N-phenyl nitrone and their hydroxylamine tautomers (vinyl-hydroxylamine, N-methyl-vinyl-hydroxylamine and N-phenyl-vinyl-hydroxylamine) on the reconstructed C(1 0 0)-2 × 1 surface have been investigated using hybrid density functional theory (B3LYP), Møller–Plesset second-order perturbation (MP2) and multi-configuration complete-active-space self-consistent-field (CASSCF) methods. The calculations showed that all the nitrones can react with the surface “dimer” via facile 1,3-dipolar cycloaddition with small activation barriers (less than 12.0 kJ/mol at B3LYP/6-31g(d) level). The [2+2] cycloaddition of hydroxylamine tautomers on the C(1 0 0) surface follows a diradical mechanism. Hydroxylamine tautomers first form diradical intermediates with the reconstructed C(1 0 0)-2 × 1 surface by overcoming a large activation barrier of 50–60 kJ/mol (B3LYP), then generate [2+2] cycloaddition products via diradical transition states with negligible activation barriers. The surface reactions result in hydroxyl or amino-terminated diamond surfaces, which offers new opportunity for further modifications." @default.
• W2003551738 created "2016-06-24" @default.
• W2003551738 creator A5032073276 @default.
• W2003551738 creator A5038138891 @default.
• W2003551738 creator A5049010169 @default.
• W2003551738 creator A5055342281 @default.
• W2003551738 date "2008-02-01" @default.
• W2003551738 modified "2023-09-26" @default.
• W2003551738 title "Addition reactions of nitrones on the reconstructed C(100)-2×1 surfaces" @default.
• W2003551738 cites W1490406977 @default.
• W2003551738 cites W1589521615 @default.
• W2003551738 cites W1963688013 @default.
• W2003551738 cites W1965537596 @default.
• W2003551738 cites W1973096409 @default.
• W2003551738 cites W1985615730 @default.
• W2003551738 cites W1991764186 @default.
• W2003551738 cites W1998490046 @default.
• W2003551738 cites W1999672494 @default.
• W2003551738 cites W2005201163 @default.
• W2003551738 cites W2011581538 @default.
• W2003551738 cites W2014157842 @default.
• W2003551738 cites W2017497958 @default.
• W2003551738 cites W2021248851 @default.
• W2003551738 cites W2022691115 @default.
• W2003551738 cites W2028428909 @default.
• W2003551738 cites W2033912586 @default.
• W2003551738 cites W2034766720 @default.
• W2003551738 cites W2035013991 @default.
• W2003551738 cites W2038010151 @default.
• W2003551738 cites W2039592632 @default.
• W2003551738 cites W2041327577 @default.
• W2003551738 cites W2042067702 @default.
• W2003551738 cites W2042568555 @default.
• W2003551738 cites W2043054309 @default.
• W2003551738 cites W2052505347 @default.
• W2003551738 cites W2056879154 @default.
• W2003551738 cites W2060553919 @default.
• W2003551738 cites W2071223743 @default.
• W2003551738 cites W2072748592 @default.
• W2003551738 cites W2076810549 @default.
• W2003551738 cites W2077135147 @default.
• W2003551738 cites W2077909699 @default.
• W2003551738 cites W2109571422 @default.
• W2003551738 cites W2143981217 @default.
• W2003551738 cites W2150194924 @default.
• W2003551738 cites W1985625087 @default.
• W2003551738 doi "https://doi.org/10.1016/j.theochem.2007.10.023" @default.
• W2003551738 hasPublicationYear "2008" @default.
• W2003551738 type Work @default.
• W2003551738 sameAs 2003551738 @default.
• W2003551738 citedByCount "3" @default.
• W2003551738 countsByYear W20035517382012 @default.
• W2003551738 countsByYear W20035517382015 @default.
• W2003551738 crossrefType "journal-article" @default.
• W2003551738 hasAuthorship W2003551738A5032073276 @default.
• W2003551738 hasAuthorship W2003551738A5038138891 @default.
• W2003551738 hasAuthorship W2003551738A5049010169 @default.
• W2003551738 hasAuthorship W2003551738A5055342281 @default.
• W2003551738 hasConcept C111233374 @default.
• W2003551738 hasConcept C117633835 @default.
• W2003551738 hasConcept C121332964 @default.
• W2003551738 hasConcept C147597530 @default.
• W2003551738 hasConcept C152365726 @default.
• W2003551738 hasConcept C155647269 @default.
• W2003551738 hasConcept C161790260 @default.
• W2003551738 hasConcept C178790620 @default.
• W2003551738 hasConcept C181500209 @default.
• W2003551738 hasConcept C184779094 @default.
• W2003551738 hasConcept C185592680 @default.
• W2003551738 hasConcept C2775999725 @default.
• W2003551738 hasConcept C2779440280 @default.
• W2003551738 hasConcept C2779664164 @default.
• W2003551738 hasConcept C33062035 @default.
• W2003551738 hasConcept C75473681 @default.
• W2003551738 hasConceptScore W2003551738C111233374 @default.
• W2003551738 hasConceptScore W2003551738C117633835 @default.
• W2003551738 hasConceptScore W2003551738C121332964 @default.
• W2003551738 hasConceptScore W2003551738C147597530 @default.
• W2003551738 hasConceptScore W2003551738C152365726 @default.
• W2003551738 hasConceptScore W2003551738C155647269 @default.
• W2003551738 hasConceptScore W2003551738C161790260 @default.
• W2003551738 hasConceptScore W2003551738C178790620 @default.
• W2003551738 hasConceptScore W2003551738C181500209 @default.
• W2003551738 hasConceptScore W2003551738C184779094 @default.
• W2003551738 hasConceptScore W2003551738C185592680 @default.
• W2003551738 hasConceptScore W2003551738C2775999725 @default.
• W2003551738 hasConceptScore W2003551738C2779440280 @default.
• W2003551738 hasConceptScore W2003551738C2779664164 @default.
• W2003551738 hasConceptScore W2003551738C33062035 @default.
• W2003551738 hasConceptScore W2003551738C75473681 @default.
• W2003551738 hasIssue "1-3" @default.
• W2003551738 hasLocation W20035517381 @default.
• W2003551738 hasOpenAccess W2003551738 @default.
• W2003551738 hasPrimaryLocation W20035517381 @default.
• W2003551738 hasRelatedWork W1968385824 @default.
• W2003551738 hasRelatedWork W1985833601 @default.
• W2003551738 hasRelatedWork W2003551738 @default.
• W2003551738 hasRelatedWork W2025505560 @default.

• next