FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2014239095> ?p ?o ?g. }

• W2014239095 endingPage "13162" @default.
• W2014239095 startingPage "13157" @default.
• W2014239095 abstract "Density functional theory (DFT) calculations show the higher energy HOMO (highest occupied molecular orbital) orbitals of four iron(II) diimine complexes are metal centered and the lower energy LUMO (lowest unoccupied molecular orbitals) are ligand centered. The energy of the orbitals correlates with electrochemical redox potentials of the complexes. Time-dependent density functional theory (TDDFT) calculations reveal ligand centered (LC) and metal-to-ligand charge transfer (MLCT) at higher energy than experimentally observed. TDDFT calculations also reveal the presence of d-d transitions which are buried under the MLCT and LC transitions. The difference in chemical and photophysical behavior of the iron complexes compared to that of their ruthenium analogues is also addressed." @default.
• W2014239095 created "2016-06-24" @default.
• W2014239095 creator A5003973738 @default.
• W2014239095 creator A5022100617 @default.
• W2014239095 date "2007-11-28" @default.
• W2014239095 modified "2023-09-27" @default.
• W2014239095 title "Computational Study of Iron(II) Systems Containing Ligands with Nitrogen Heterocyclic Groups" @default.
• W2014239095 cites W1969481851 @default.
• W2014239095 cites W1971404196 @default.
• W2014239095 cites W1971535340 @default.
• W2014239095 cites W1972308517 @default.
• W2014239095 cites W1973803527 @default.
• W2014239095 cites W1979885835 @default.
• W2014239095 cites W1981857846 @default.
• W2014239095 cites W1984584599 @default.
• W2014239095 cites W1989834263 @default.
• W2014239095 cites W2005805510 @default.
• W2014239095 cites W2015239963 @default.
• W2014239095 cites W2015723183 @default.
• W2014239095 cites W2017702339 @default.
• W2014239095 cites W2023271753 @default.
• W2014239095 cites W2024527890 @default.
• W2014239095 cites W2027316206 @default.
• W2014239095 cites W2030313390 @default.
• W2014239095 cites W2032120546 @default.
• W2014239095 cites W2033526950 @default.
• W2014239095 cites W2033538322 @default.
• W2014239095 cites W2038533471 @default.
• W2014239095 cites W2061997910 @default.
• W2014239095 cites W2063663126 @default.
• W2014239095 cites W2068228867 @default.
• W2014239095 cites W2069197437 @default.
• W2014239095 cites W2076038563 @default.
• W2014239095 cites W2081581462 @default.
• W2014239095 cites W2082454910 @default.
• W2014239095 cites W2082544615 @default.
• W2014239095 cites W2090913040 @default.
• W2014239095 cites W2143981217 @default.
• W2014239095 cites W2316991413 @default.
• W2014239095 cites W2327341023 @default.
• W2014239095 cites W2330272154 @default.
• W2014239095 cites W2332299345 @default.
• W2014239095 cites W2950507047 @default.
• W2014239095 cites W3005522209 @default.
• W2014239095 doi "https://doi.org/10.1021/jp076334t" @default.
• W2014239095 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18041827" @default.
• W2014239095 hasPublicationYear "2007" @default.
• W2014239095 type Work @default.
• W2014239095 sameAs 2014239095 @default.
• W2014239095 citedByCount "21" @default.
• W2014239095 countsByYear W20142390952012 @default.
• W2014239095 countsByYear W20142390952014 @default.
• W2014239095 countsByYear W20142390952015 @default.
• W2014239095 countsByYear W20142390952016 @default.
• W2014239095 countsByYear W20142390952019 @default.
• W2014239095 countsByYear W20142390952020 @default.
• W2014239095 countsByYear W20142390952021 @default.
• W2014239095 countsByYear W20142390952022 @default.
• W2014239095 countsByYear W20142390952023 @default.
• W2014239095 crossrefType "journal-article" @default.
• W2014239095 hasAuthorship W2014239095A5003973738 @default.
• W2014239095 hasAuthorship W2014239095A5022100617 @default.
• W2014239095 hasConcept C116569031 @default.
• W2014239095 hasConcept C121332964 @default.
• W2014239095 hasConcept C139358910 @default.
• W2014239095 hasConcept C14158195 @default.
• W2014239095 hasConcept C147120987 @default.
• W2014239095 hasConcept C147597530 @default.
• W2014239095 hasConcept C152365726 @default.
• W2014239095 hasConcept C159467904 @default.
• W2014239095 hasConcept C161790260 @default.
• W2014239095 hasConcept C170493617 @default.
• W2014239095 hasConcept C178790620 @default.
• W2014239095 hasConcept C185592680 @default.
• W2014239095 hasConcept C189394030 @default.
• W2014239095 hasConcept C20853536 @default.
• W2014239095 hasConcept C2776303508 @default.
• W2014239095 hasConcept C32909587 @default.
• W2014239095 hasConcept C544153396 @default.
• W2014239095 hasConcept C55493867 @default.
• W2014239095 hasConcept C62520636 @default.
• W2014239095 hasConcept C75473681 @default.
• W2014239095 hasConceptScore W2014239095C116569031 @default.
• W2014239095 hasConceptScore W2014239095C121332964 @default.
• W2014239095 hasConceptScore W2014239095C139358910 @default.
• W2014239095 hasConceptScore W2014239095C14158195 @default.
• W2014239095 hasConceptScore W2014239095C147120987 @default.
• W2014239095 hasConceptScore W2014239095C147597530 @default.
• W2014239095 hasConceptScore W2014239095C152365726 @default.
• W2014239095 hasConceptScore W2014239095C159467904 @default.
• W2014239095 hasConceptScore W2014239095C161790260 @default.
• W2014239095 hasConceptScore W2014239095C170493617 @default.
• W2014239095 hasConceptScore W2014239095C178790620 @default.
• W2014239095 hasConceptScore W2014239095C185592680 @default.
• W2014239095 hasConceptScore W2014239095C189394030 @default.
• W2014239095 hasConceptScore W2014239095C20853536 @default.
• W2014239095 hasConceptScore W2014239095C2776303508 @default.
• W2014239095 hasConceptScore W2014239095C32909587 @default.

• next