FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2017476105> ?p ?o ?g. }

• W2017476105 endingPage "796" @default.
• W2017476105 startingPage "788" @default.
• W2017476105 abstract "The potential energy curves (PECs) of the ground state and the low-lying excited states for the photodissociation of cyclobutane have been calculated at the multi-reference configuration interaction with singlet and doublet excitation (MRCISD) and the multi-reference second order perturbation theory (MRPT2). Firstly, the PECs are constructed following a reaction path determined by semiclassical dynamics simulation, which suggests that the lowest triplet state of tetramethylene is involved in the photodissociation of cyclobutane. Then, the adiabatic PECs are calculated for the breaking processes of C1C3 and C2C4 bond respectively. The singlet-triplet PECs' intersections have been found in the two breaking CC bond processes. During the breaking process of the second C2C4 bond, a local minimum has been found on the PEC of the lowest triplet state, which gives us some insight to reinterpret the experimental observed diradical intermediate as being trapped in its triplet state. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008" @default.
• W2017476105 created "2016-06-24" @default.
• W2017476105 creator A5008133679 @default.
• W2017476105 creator A5019747633 @default.
• W2017476105 creator A5048926729 @default.
• W2017476105 creator A5077458638 @default.
• W2017476105 creator A5080926762 @default.
• W2017476105 creator A5083061699 @default.
• W2017476105 date "2007-10-30" @default.
• W2017476105 modified "2023-09-22" @default.
• W2017476105 title "Involvement of excited triplet state in the photodissociation of cyclobutane" @default.
• W2017476105 cites W1426543947 @default.
• W2017476105 cites W1964069776 @default.
• W2017476105 cites W1965080695 @default.
• W2017476105 cites W1980870193 @default.
• W2017476105 cites W1980886304 @default.
• W2017476105 cites W1982367493 @default.
• W2017476105 cites W1984908400 @default.
• W2017476105 cites W1987077662 @default.
• W2017476105 cites W1992317272 @default.
• W2017476105 cites W2005384415 @default.
• W2017476105 cites W2006550696 @default.
• W2017476105 cites W2008486190 @default.
• W2017476105 cites W2022696619 @default.
• W2017476105 cites W2022950330 @default.
• W2017476105 cites W2034197707 @default.
• W2017476105 cites W2034673893 @default.
• W2017476105 cites W2037842016 @default.
• W2017476105 cites W2045400667 @default.
• W2017476105 cites W2051130392 @default.
• W2017476105 cites W2051300466 @default.
• W2017476105 cites W2060410316 @default.
• W2017476105 cites W2085270232 @default.
• W2017476105 cites W2086092622 @default.
• W2017476105 cites W2093738023 @default.
• W2017476105 cites W2099697386 @default.
• W2017476105 cites W2132830950 @default.
• W2017476105 cites W2149150775 @default.
• W2017476105 cites W2154481152 @default.
• W2017476105 cites W2155509320 @default.
• W2017476105 cites W2172181928 @default.
• W2017476105 cites W2398660212 @default.
• W2017476105 cites W3004589119 @default.
• W2017476105 cites W3004834998 @default.
• W2017476105 cites W3005377234 @default.
• W2017476105 cites W3005498558 @default.
• W2017476105 doi "https://doi.org/10.1002/qua.21548" @default.
• W2017476105 hasPublicationYear "2007" @default.
• W2017476105 type Work @default.
• W2017476105 sameAs 2017476105 @default.
• W2017476105 citedByCount "3" @default.
• W2017476105 countsByYear W20174761052012 @default.
• W2017476105 countsByYear W20174761052018 @default.
• W2017476105 crossrefType "journal-article" @default.
• W2017476105 hasAuthorship W2017476105A5008133679 @default.
• W2017476105 hasAuthorship W2017476105A5019747633 @default.
• W2017476105 hasAuthorship W2017476105A5048926729 @default.
• W2017476105 hasAuthorship W2017476105A5077458638 @default.
• W2017476105 hasAuthorship W2017476105A5080926762 @default.
• W2017476105 hasAuthorship W2017476105A5083061699 @default.
• W2017476105 hasConcept C109663097 @default.
• W2017476105 hasConcept C117633835 @default.
• W2017476105 hasConcept C121332964 @default.
• W2017476105 hasConcept C178790620 @default.
• W2017476105 hasConcept C181500209 @default.
• W2017476105 hasConcept C184779094 @default.
• W2017476105 hasConcept C185592680 @default.
• W2017476105 hasConcept C2780377690 @default.
• W2017476105 hasConcept C2780378348 @default.
• W2017476105 hasConcept C33062035 @default.
• W2017476105 hasConcept C535169671 @default.
• W2017476105 hasConcept C54582936 @default.
• W2017476105 hasConcept C62520636 @default.
• W2017476105 hasConcept C69523127 @default.
• W2017476105 hasConcept C75473681 @default.
• W2017476105 hasConcept C76766466 @default.
• W2017476105 hasConcept C84114770 @default.
• W2017476105 hasConcept C84551667 @default.
• W2017476105 hasConceptScore W2017476105C109663097 @default.
• W2017476105 hasConceptScore W2017476105C117633835 @default.
• W2017476105 hasConceptScore W2017476105C121332964 @default.
• W2017476105 hasConceptScore W2017476105C178790620 @default.
• W2017476105 hasConceptScore W2017476105C181500209 @default.
• W2017476105 hasConceptScore W2017476105C184779094 @default.
• W2017476105 hasConceptScore W2017476105C185592680 @default.
• W2017476105 hasConceptScore W2017476105C2780377690 @default.
• W2017476105 hasConceptScore W2017476105C2780378348 @default.
• W2017476105 hasConceptScore W2017476105C33062035 @default.
• W2017476105 hasConceptScore W2017476105C535169671 @default.
• W2017476105 hasConceptScore W2017476105C54582936 @default.
• W2017476105 hasConceptScore W2017476105C62520636 @default.
• W2017476105 hasConceptScore W2017476105C69523127 @default.
• W2017476105 hasConceptScore W2017476105C75473681 @default.
• W2017476105 hasConceptScore W2017476105C76766466 @default.
• W2017476105 hasConceptScore W2017476105C84114770 @default.
• W2017476105 hasConceptScore W2017476105C84551667 @default.
• W2017476105 hasIssue "4" @default.
• W2017476105 hasLocation W20174761051 @default.

• next