Matches in SemOpenAlex for { <https://semopenalex.org/work/W2001220383> ?p ?o ?g. }
Showing items 1 to 99 of
99
with 100 items per page.
- W2001220383 endingPage "2381" @default.
- W2001220383 startingPage "2378" @default.
- W2001220383 abstract "MP2 and B3LYP methods at 6-311++G** basis set have been used to explore proton transfer in keto-enol forms of formamide and to investigate the effect of substituent, i.e., H, F, Cl, OH, SH, and NH2 on their transition states. Additionally, the vibrational frequencies of aforementioned compounds are calculated at the same levels of theory. It is proposed that the barrier heights values in kJ/mol for F, Cl, OH, and SH substituents are significantly greater than that of the bare tautomerization reaction, implying the importance of the substituents effect on the intramolecular proton transfer. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012" @default.
- W2001220383 created "2016-06-24" @default.
- W2001220383 creator A5037869484 @default.
- W2001220383 creator A5075596716 @default.
- W2001220383 date "2011-10-27" @default.
- W2001220383 modified "2023-10-12" @default.
- W2001220383 title "Substituent effect on the reaction mechanism of proton transfer in formamide" @default.
- W2001220383 cites W1966325142 @default.
- W2001220383 cites W1974775316 @default.
- W2001220383 cites W1985054738 @default.
- W2001220383 cites W2002754451 @default.
- W2001220383 cites W2014767176 @default.
- W2001220383 cites W2028619013 @default.
- W2001220383 cites W2035755017 @default.
- W2001220383 cites W2044940178 @default.
- W2001220383 cites W2051242032 @default.
- W2001220383 cites W2063661958 @default.
- W2001220383 cites W2069658430 @default.
- W2001220383 cites W2079458939 @default.
- W2001220383 cites W2141839390 @default.
- W2001220383 cites W2143981217 @default.
- W2001220383 cites W2144098158 @default.
- W2001220383 doi "https://doi.org/10.1002/qua.23235" @default.
- W2001220383 hasPublicationYear "2011" @default.
- W2001220383 type Work @default.
- W2001220383 sameAs 2001220383 @default.
- W2001220383 citedByCount "18" @default.
- W2001220383 countsByYear W20012203832013 @default.
- W2001220383 countsByYear W20012203832014 @default.
- W2001220383 countsByYear W20012203832015 @default.
- W2001220383 countsByYear W20012203832016 @default.
- W2001220383 countsByYear W20012203832017 @default.
- W2001220383 countsByYear W20012203832018 @default.
- W2001220383 countsByYear W20012203832019 @default.
- W2001220383 countsByYear W20012203832020 @default.
- W2001220383 countsByYear W20012203832021 @default.
- W2001220383 countsByYear W20012203832023 @default.
- W2001220383 crossrefType "journal-article" @default.
- W2001220383 hasAuthorship W2001220383A5037869484 @default.
- W2001220383 hasAuthorship W2001220383A5075596716 @default.
- W2001220383 hasConcept C111233374 @default.
- W2001220383 hasConcept C121332964 @default.
- W2001220383 hasConcept C147597530 @default.
- W2001220383 hasConcept C152365726 @default.
- W2001220383 hasConcept C155647269 @default.
- W2001220383 hasConcept C161790260 @default.
- W2001220383 hasConcept C178790620 @default.
- W2001220383 hasConcept C185592680 @default.
- W2001220383 hasConcept C2777495281 @default.
- W2001220383 hasConcept C2778270854 @default.
- W2001220383 hasConcept C2778689049 @default.
- W2001220383 hasConcept C54516573 @default.
- W2001220383 hasConcept C62520636 @default.
- W2001220383 hasConcept C65024703 @default.
- W2001220383 hasConcept C65956243 @default.
- W2001220383 hasConcept C71240020 @default.
- W2001220383 hasConcept C75079739 @default.
- W2001220383 hasConcept C75473681 @default.
- W2001220383 hasConcept C89031862 @default.
- W2001220383 hasConceptScore W2001220383C111233374 @default.
- W2001220383 hasConceptScore W2001220383C121332964 @default.
- W2001220383 hasConceptScore W2001220383C147597530 @default.
- W2001220383 hasConceptScore W2001220383C152365726 @default.
- W2001220383 hasConceptScore W2001220383C155647269 @default.
- W2001220383 hasConceptScore W2001220383C161790260 @default.
- W2001220383 hasConceptScore W2001220383C178790620 @default.
- W2001220383 hasConceptScore W2001220383C185592680 @default.
- W2001220383 hasConceptScore W2001220383C2777495281 @default.
- W2001220383 hasConceptScore W2001220383C2778270854 @default.
- W2001220383 hasConceptScore W2001220383C2778689049 @default.
- W2001220383 hasConceptScore W2001220383C54516573 @default.
- W2001220383 hasConceptScore W2001220383C62520636 @default.
- W2001220383 hasConceptScore W2001220383C65024703 @default.
- W2001220383 hasConceptScore W2001220383C65956243 @default.
- W2001220383 hasConceptScore W2001220383C71240020 @default.
- W2001220383 hasConceptScore W2001220383C75079739 @default.
- W2001220383 hasConceptScore W2001220383C75473681 @default.
- W2001220383 hasConceptScore W2001220383C89031862 @default.
- W2001220383 hasIssue "11" @default.
- W2001220383 hasLocation W20012203831 @default.
- W2001220383 hasOpenAccess W2001220383 @default.
- W2001220383 hasPrimaryLocation W20012203831 @default.
- W2001220383 hasRelatedWork W2007107123 @default.
- W2001220383 hasRelatedWork W2020731551 @default.
- W2001220383 hasRelatedWork W2029425899 @default.
- W2001220383 hasRelatedWork W2088995344 @default.
- W2001220383 hasRelatedWork W2097070207 @default.
- W2001220383 hasRelatedWork W2114956922 @default.
- W2001220383 hasRelatedWork W2156564315 @default.
- W2001220383 hasRelatedWork W2354817119 @default.
- W2001220383 hasRelatedWork W2750632068 @default.
- W2001220383 hasRelatedWork W2952893918 @default.
- W2001220383 hasVolume "112" @default.
- W2001220383 isParatext "false" @default.
- W2001220383 isRetracted "false" @default.
- W2001220383 magId "2001220383" @default.
- W2001220383 workType "article" @default.