FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1986803606> ?p ?o ?g. }

• W1986803606 endingPage "51" @default.
• W1986803606 startingPage "46" @default.
• W1986803606 abstract "The reaction pathways of CH3S and ClO radicals on the singlet potential energy surface have been investigated theoretically by QCISD(T)/6-311 + G(2df,p)//B3LYP/6-311 + G(3df,3pd) method. The calculated results show that the reactants will firstly associate into the energy-rich adducts CH3SClO and CH3SOCl with barrierless processes. Then, the adducts undergo disassociation (combined with hydrogen migration) or isomerization process to produce main products HOCl, CH2S and CH3S(O)Cl. The (ClO)CH2(SH), HCl, CH2SO, SO and CH3Cl species are found to be the minor products via different channels. Natural bond orbital analyses indicate that the sulfur atom of CH3S radical prefers to attack the oxygen atom rather than the chlorine atom of ClO in the initial association process." @default.
• W1986803606 created "2016-06-24" @default.
• W1986803606 creator A5009717743 @default.
• W1986803606 creator A5010776860 @default.
• W1986803606 creator A5023440365 @default.
• W1986803606 creator A5027029132 @default.
• W1986803606 creator A5090674409 @default.
• W1986803606 date "2008-10-01" @default.
• W1986803606 modified "2023-09-26" @default.
• W1986803606 title "Theoretical study on the multi-channel reaction of CH3S with ClO" @default.
• W1986803606 cites W1519058275 @default.
• W1986803606 cites W1964965749 @default.
• W1986803606 cites W1975563628 @default.
• W1986803606 cites W1986306975 @default.
• W1986803606 cites W1991296128 @default.
• W1986803606 cites W1997340274 @default.
• W1986803606 cites W1997785740 @default.
• W1986803606 cites W2012069849 @default.
• W1986803606 cites W2014513096 @default.
• W1986803606 cites W2014767176 @default.
• W1986803606 cites W2022089326 @default.
• W1986803606 cites W2023271753 @default.
• W1986803606 cites W2024124883 @default.
• W1986803606 cites W2037161610 @default.
• W1986803606 cites W2037223803 @default.
• W1986803606 cites W2040091362 @default.
• W1986803606 cites W2045545480 @default.
• W1986803606 cites W2050760008 @default.
• W1986803606 cites W2066845429 @default.
• W1986803606 cites W2075347852 @default.
• W1986803606 cites W2079458939 @default.
• W1986803606 cites W2090292718 @default.
• W1986803606 cites W2189165692 @default.
• W1986803606 cites W4232984938 @default.
• W1986803606 cites W856704209 @default.
• W1986803606 doi "https://doi.org/10.1016/j.theochem.2008.07.002" @default.
• W1986803606 hasPublicationYear "2008" @default.
• W1986803606 type Work @default.
• W1986803606 sameAs 1986803606 @default.
• W1986803606 citedByCount "5" @default.
• W1986803606 countsByYear W19868036062014 @default.
• W1986803606 countsByYear W19868036062019 @default.
• W1986803606 crossrefType "journal-article" @default.
• W1986803606 hasAuthorship W1986803606A5009717743 @default.
• W1986803606 hasAuthorship W1986803606A5010776860 @default.
• W1986803606 hasAuthorship W1986803606A5023440365 @default.
• W1986803606 hasAuthorship W1986803606A5027029132 @default.
• W1986803606 hasAuthorship W1986803606A5090674409 @default.
• W1986803606 hasConcept C108204754 @default.
• W1986803606 hasConcept C121332964 @default.
• W1986803606 hasConcept C125277925 @default.
• W1986803606 hasConcept C126661725 @default.
• W1986803606 hasConcept C139066938 @default.
• W1986803606 hasConcept C147597530 @default.
• W1986803606 hasConcept C147789679 @default.
• W1986803606 hasConcept C161790260 @default.
• W1986803606 hasConcept C178790620 @default.
• W1986803606 hasConcept C181500209 @default.
• W1986803606 hasConcept C184779094 @default.
• W1986803606 hasConcept C185592680 @default.
• W1986803606 hasConcept C2776640939 @default.
• W1986803606 hasConcept C2780263894 @default.
• W1986803606 hasConcept C32909587 @default.
• W1986803606 hasConcept C33062035 @default.
• W1986803606 hasConcept C518881349 @default.
• W1986803606 hasConcept C75473681 @default.
• W1986803606 hasConcept C89031862 @default.
• W1986803606 hasConceptScore W1986803606C108204754 @default.
• W1986803606 hasConceptScore W1986803606C121332964 @default.
• W1986803606 hasConceptScore W1986803606C125277925 @default.
• W1986803606 hasConceptScore W1986803606C126661725 @default.
• W1986803606 hasConceptScore W1986803606C139066938 @default.
• W1986803606 hasConceptScore W1986803606C147597530 @default.
• W1986803606 hasConceptScore W1986803606C147789679 @default.
• W1986803606 hasConceptScore W1986803606C161790260 @default.
• W1986803606 hasConceptScore W1986803606C178790620 @default.
• W1986803606 hasConceptScore W1986803606C181500209 @default.
• W1986803606 hasConceptScore W1986803606C184779094 @default.
• W1986803606 hasConceptScore W1986803606C185592680 @default.
• W1986803606 hasConceptScore W1986803606C2776640939 @default.
• W1986803606 hasConceptScore W1986803606C2780263894 @default.
• W1986803606 hasConceptScore W1986803606C32909587 @default.
• W1986803606 hasConceptScore W1986803606C33062035 @default.
• W1986803606 hasConceptScore W1986803606C518881349 @default.
• W1986803606 hasConceptScore W1986803606C75473681 @default.
• W1986803606 hasConceptScore W1986803606C89031862 @default.
• W1986803606 hasIssue "1-3" @default.
• W1986803606 hasLocation W19868036061 @default.
• W1986803606 hasOpenAccess W1986803606 @default.
• W1986803606 hasPrimaryLocation W19868036061 @default.
• W1986803606 hasRelatedWork W1980171958 @default.
• W1986803606 hasRelatedWork W1982535810 @default.
• W1986803606 hasRelatedWork W1997251242 @default.
• W1986803606 hasRelatedWork W2002625103 @default.
• W1986803606 hasRelatedWork W2031848957 @default.
• W1986803606 hasRelatedWork W2053165901 @default.
• W1986803606 hasRelatedWork W2054833940 @default.
• W1986803606 hasRelatedWork W2076843374 @default.

• next