FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1998995104> ?p ?o ?g. }

• W1998995104 abstract "Ab initio quantum chemical techniques have been used to investigate covalently‐bonded and hydrogen‐bonded species that may be important intermediates in the reaction of hydroxyl and hydroperoxyl radicals. Stable structures of both types were identified. Basis sets of polarized double‐zeta quality and large scale configuration interaction wave functions have been utilized. Based upon electronic energies, the covalently‐bonded HOOOH species is found to be 26.4 kcal/mol more stable than the OH and HO2 radicals. Similarly, the hydrogen‐bonded HO‐‐‐HO2 species is found to have an electronic energy 4.7 kcal/mol below that of the component radicals, after correction is made for the basis set superposition error. The hydrogen‐bonded form is found to be planar, to possess one relatively ‘‘normal’’ hydrogen bond, and to have lowest energy 3A’ and 1A’ states that are essentially degenerate. The 1A‘ and 3A‘ excited states produced by rotation of the unpaired OH electron into the molecular plane are found to be very s..." @default.
• W1998995104 created "2016-06-24" @default.
• W1998995104 creator A5012003071 @default.
• W1998995104 creator A5049201887 @default.
• W1998995104 date "1986-05-01" @default.
• W1998995104 modified "2023-09-26" @default.
• W1998995104 title "An ab initio investigation of possible intermediates in the reaction of the hydroxyl and hydroperoxyl radicals" @default.
• W1998995104 cites W1650728208 @default.
• W1998995104 cites W1785379918 @default.
• W1998995104 cites W1964112344 @default.
• W1998995104 cites W1968752353 @default.
• W1998995104 cites W1971275758 @default.
• W1998995104 cites W1981492958 @default.
• W1998995104 cites W1983160087 @default.
• W1998995104 cites W1987700870 @default.
• W1998995104 cites W1995609561 @default.
• W1998995104 cites W1997274183 @default.
• W1998995104 cites W1997502779 @default.
• W1998995104 cites W1998647810 @default.
• W1998995104 cites W1998914464 @default.
• W1998995104 cites W2002749350 @default.
• W1998995104 cites W2003735652 @default.
• W1998995104 cites W2004606618 @default.
• W1998995104 cites W2008129129 @default.
• W1998995104 cites W2014209007 @default.
• W1998995104 cites W2015223416 @default.
• W1998995104 cites W2017113361 @default.
• W1998995104 cites W2019162613 @default.
• W1998995104 cites W2019549109 @default.
• W1998995104 cites W2019550058 @default.
• W1998995104 cites W2021469982 @default.
• W1998995104 cites W2021753818 @default.
• W1998995104 cites W2023801999 @default.
• W1998995104 cites W2029058515 @default.
• W1998995104 cites W2035468529 @default.
• W1998995104 cites W2039538946 @default.
• W1998995104 cites W2041957793 @default.
• W1998995104 cites W2043916413 @default.
• W1998995104 cites W2044510640 @default.
• W1998995104 cites W2045534854 @default.
• W1998995104 cites W2046412723 @default.
• W1998995104 cites W2051279070 @default.
• W1998995104 cites W2053224305 @default.
• W1998995104 cites W2056224661 @default.
• W1998995104 cites W2059184306 @default.
• W1998995104 cites W2062340785 @default.
• W1998995104 cites W2065845169 @default.
• W1998995104 cites W2066337268 @default.
• W1998995104 cites W2077005062 @default.
• W1998995104 cites W2082891142 @default.
• W1998995104 cites W2083178572 @default.
• W1998995104 cites W2088711119 @default.
• W1998995104 cites W2115248251 @default.
• W1998995104 cites W2118933790 @default.
• W1998995104 cites W2148941593 @default.
• W1998995104 cites W2177252302 @default.
• W1998995104 cites W2254289365 @default.
• W1998995104 cites W2267800659 @default.
• W1998995104 cites W3005091348 @default.
• W1998995104 cites W3127918431 @default.
• W1998995104 cites W4230151690 @default.
• W1998995104 doi "https://doi.org/10.1063/1.450650" @default.
• W1998995104 hasPublicationYear "1986" @default.
• W1998995104 type Work @default.
• W1998995104 sameAs 1998995104 @default.
• W1998995104 citedByCount "24" @default.
• W1998995104 countsByYear W19989951042012 @default.
• W1998995104 countsByYear W19989951042013 @default.
• W1998995104 countsByYear W19989951042014 @default.
• W1998995104 countsByYear W19989951042017 @default.
• W1998995104 countsByYear W19989951042018 @default.
• W1998995104 countsByYear W19989951042019 @default.
• W1998995104 countsByYear W19989951042020 @default.
• W1998995104 crossrefType "journal-article" @default.
• W1998995104 hasAuthorship W1998995104A5012003071 @default.
• W1998995104 hasAuthorship W1998995104A5049201887 @default.
• W1998995104 hasBestOaLocation W19989951042 @default.
• W1998995104 hasConcept C112887158 @default.
• W1998995104 hasConcept C121332964 @default.
• W1998995104 hasConcept C125277925 @default.
• W1998995104 hasConcept C139066938 @default.
• W1998995104 hasConcept C147597530 @default.
• W1998995104 hasConcept C152365726 @default.
• W1998995104 hasConcept C178790620 @default.
• W1998995104 hasConcept C180577832 @default.
• W1998995104 hasConcept C181500209 @default.
• W1998995104 hasConcept C183971685 @default.
• W1998995104 hasConcept C184779094 @default.
• W1998995104 hasConcept C185592680 @default.
• W1998995104 hasConcept C186927785 @default.
• W1998995104 hasConcept C2776722999 @default.
• W1998995104 hasConcept C2781442258 @default.
• W1998995104 hasConcept C32909587 @default.
• W1998995104 hasConcept C65956243 @default.
• W1998995104 hasConcept C75473681 @default.
• W1998995104 hasConcept C86025842 @default.
• W1998995104 hasConceptScore W1998995104C112887158 @default.
• W1998995104 hasConceptScore W1998995104C121332964 @default.
• W1998995104 hasConceptScore W1998995104C125277925 @default.
• W1998995104 hasConceptScore W1998995104C139066938 @default.

• next