FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2954335280> ?p ?o ?g. }

• W2954335280 endingPage "7143" @default.
• W2954335280 startingPage "7134" @default.
• W2954335280 abstract "Abstract The H‐abstraction reaction between CHF 2 CF 2 CH 2 OH and Cl atoms has been systematically investigated using ab initio CCSD(T)//MP2/6‐311++G(d,p) method along with kinetic calculations using conventional transition state theory and Eckart's tunelling corrections. The rate coefficients for the titled reaction are reported over a temperature range of 250–500 K and found to agree quite well with the available experimental values. The computed thermochemical data and branching ratios indicate that H‐abstraction from the –CH 2 – site is the most favorable reaction channel. The atmospheric oxidative degradation pathways for CHF 2 CF 2 CH 2 OH has been explored for the first time using (P)MP2/6‐311++G(d,p) method. The reaction of the primary oxidation product CHF 2 CF 2 CHO, generated from the reaction of CHF 2 CF 2 CHOH radical with atmospheric O 2 , with OH radical has also been investigated for the first time using the same techniques. The calculated rate coefficient for CHF 2 CF 2 CHO +OH reaction agrees quite well with the value estimated from the structure‐reactivity relationship. Effective atmospheric lifetime and Global Warming Potential (GWP) of CHF 2 CF 2 CH 2 OH and CHF 2 CF 2 CHO are also reported." @default.
• W2954335280 created "2019-07-12" @default.
• W2954335280 creator A5011147332 @default.
• W2954335280 creator A5018380949 @default.
• W2954335280 creator A5072454658 @default.
• W2954335280 date "2019-06-24" @default.
• W2954335280 modified "2023-10-16" @default.
• W2954335280 title "Kinetics of Reactions of CHF 2 CF 2 CH 2 OH with Cl Atoms and CHF 2 CF 2 CHO with OH Radicals and Atmospheric Degradation Pathways of CHF 2 CF 2 CH 2 OH: A Theoretical Investigation" @default.
• W2954335280 cites W1593655292 @default.
• W2954335280 cites W1675763965 @default.
• W2954335280 cites W1963688013 @default.
• W2954335280 cites W1966357398 @default.
• W2954335280 cites W1976765852 @default.
• W2954335280 cites W1988468769 @default.
• W2954335280 cites W1997561328 @default.
• W2954335280 cites W2014799094 @default.
• W2954335280 cites W2044724516 @default.
• W2954335280 cites W2045511231 @default.
• W2954335280 cites W2045954357 @default.
• W2954335280 cites W2050123297 @default.
• W2954335280 cites W2053315875 @default.
• W2954335280 cites W2053909350 @default.
• W2954335280 cites W2058401765 @default.
• W2954335280 cites W2063541736 @default.
• W2954335280 cites W2065715754 @default.
• W2954335280 cites W2066651987 @default.
• W2954335280 cites W2067342499 @default.
• W2954335280 cites W2080742853 @default.
• W2954335280 cites W2091100837 @default.
• W2954335280 cites W2094626894 @default.
• W2954335280 cites W2096153306 @default.
• W2954335280 cites W2097232205 @default.
• W2954335280 cites W2114449933 @default.
• W2954335280 cites W2125404813 @default.
• W2954335280 cites W2154579084 @default.
• W2954335280 cites W2155389959 @default.
• W2954335280 cites W2171652190 @default.
• W2954335280 cites W2317582634 @default.
• W2954335280 cites W2324359011 @default.
• W2954335280 cites W2516747548 @default.
• W2954335280 cites W2739564817 @default.
• W2954335280 cites W2754912434 @default.
• W2954335280 cites W2808290645 @default.
• W2954335280 cites W2914210707 @default.
• W2954335280 doi "https://doi.org/10.1002/slct.201901571" @default.
• W2954335280 hasPublicationYear "2019" @default.
• W2954335280 type Work @default.
• W2954335280 sameAs 2954335280 @default.
• W2954335280 citedByCount "1" @default.
• W2954335280 countsByYear W29543352802021 @default.
• W2954335280 crossrefType "journal-article" @default.
• W2954335280 hasAuthorship W2954335280A5011147332 @default.
• W2954335280 hasAuthorship W2954335280A5018380949 @default.
• W2954335280 hasAuthorship W2954335280A5072454658 @default.
• W2954335280 hasConcept C121332964 @default.
• W2954335280 hasConcept C135889238 @default.
• W2954335280 hasConcept C139066938 @default.
• W2954335280 hasConcept C142724271 @default.
• W2954335280 hasConcept C147597530 @default.
• W2954335280 hasConcept C147789679 @default.
• W2954335280 hasConcept C148898269 @default.
• W2954335280 hasConcept C178790620 @default.
• W2954335280 hasConcept C183971685 @default.
• W2954335280 hasConcept C185592680 @default.
• W2954335280 hasConcept C204787440 @default.
• W2954335280 hasConcept C2776910235 @default.
• W2954335280 hasConcept C2781442258 @default.
• W2954335280 hasConcept C29563950 @default.
• W2954335280 hasConcept C32909587 @default.
• W2954335280 hasConcept C36663273 @default.
• W2954335280 hasConcept C57476982 @default.
• W2954335280 hasConcept C62520636 @default.
• W2954335280 hasConcept C71924100 @default.
• W2954335280 hasConcept C93391505 @default.
• W2954335280 hasConceptScore W2954335280C121332964 @default.
• W2954335280 hasConceptScore W2954335280C135889238 @default.
• W2954335280 hasConceptScore W2954335280C139066938 @default.
• W2954335280 hasConceptScore W2954335280C142724271 @default.
• W2954335280 hasConceptScore W2954335280C147597530 @default.
• W2954335280 hasConceptScore W2954335280C147789679 @default.
• W2954335280 hasConceptScore W2954335280C148898269 @default.
• W2954335280 hasConceptScore W2954335280C178790620 @default.
• W2954335280 hasConceptScore W2954335280C183971685 @default.
• W2954335280 hasConceptScore W2954335280C185592680 @default.
• W2954335280 hasConceptScore W2954335280C204787440 @default.
• W2954335280 hasConceptScore W2954335280C2776910235 @default.
• W2954335280 hasConceptScore W2954335280C2781442258 @default.
• W2954335280 hasConceptScore W2954335280C29563950 @default.
• W2954335280 hasConceptScore W2954335280C32909587 @default.
• W2954335280 hasConceptScore W2954335280C36663273 @default.
• W2954335280 hasConceptScore W2954335280C57476982 @default.
• W2954335280 hasConceptScore W2954335280C62520636 @default.
• W2954335280 hasConceptScore W2954335280C71924100 @default.
• W2954335280 hasConceptScore W2954335280C93391505 @default.
• W2954335280 hasIssue "24" @default.
• W2954335280 hasLocation W29543352801 @default.
• W2954335280 hasOpenAccess W2954335280 @default.
• W2954335280 hasPrimaryLocation W29543352801 @default.

• next