FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2783259752> ?p ?o ?g. }

• W2783259752 endingPage "4172" @default.
• W2783259752 startingPage "4165" @default.
• W2783259752 abstract "Abstract Aromatic compounds are prevalent in both nature and man‐made materials, yet their properties are still not fully understood and are therefore hard to predict. Herein, we introduce an additivity scheme for the prediction of the aromatic character of polycyclic aromatic hydrocarbons. Using a small set of building blocks and combination rules, we demonstrate the simple and intuitive construction of complete NICS‐ XY ‐scans for several test cases of one‐ and two‐dimensional systems comprising six‐membered rings. Partitioning the contribution of discrete building blocks provides insight into the aromatic character of these systems. The results obtained with this methodology provide a new perspective on the distribution of ring currents within polycyclic compounds and the effect of topology on the overall aromatic profile. The concept and strategy presented here are general and highly customizable. The scheme is easily applied to a wide range of interesting systems; it is especially beneficial for the investigation of large systems, as NICS‐ XY ‐scans are useful for their predictive utility with respect to optoelectronic and thermochemical properties." @default.
• W2783259752 created "2018-01-26" @default.
• W2783259752 creator A5025634481 @default.
• W2783259752 date "2018-02-21" @default.
• W2783259752 modified "2023-10-16" @default.
• W2783259752 title "Piecing it Together: An Additivity Scheme for Aromaticity using NICS‐<i>XY</i> Scans" @default.
• W2783259752 cites W1565898466 @default.
• W2783259752 cites W1814656736 @default.
• W2783259752 cites W1976822711 @default.
• W2783259752 cites W1978762857 @default.
• W2783259752 cites W1982345975 @default.
• W2783259752 cites W1989727052 @default.
• W2783259752 cites W1990864685 @default.
• W2783259752 cites W1991061109 @default.
• W2783259752 cites W2001108599 @default.
• W2783259752 cites W2010047027 @default.
• W2783259752 cites W2019225729 @default.
• W2783259752 cites W2024875889 @default.
• W2783259752 cites W2033638126 @default.
• W2783259752 cites W2036578811 @default.
• W2783259752 cites W2038268300 @default.
• W2783259752 cites W2044163641 @default.
• W2783259752 cites W2050791206 @default.
• W2783259752 cites W2070005238 @default.
• W2783259752 cites W2075559657 @default.
• W2783259752 cites W2079346192 @default.
• W2783259752 cites W2082513439 @default.
• W2783259752 cites W2118617310 @default.
• W2783259752 cites W2118946568 @default.
• W2783259752 cites W2124498646 @default.
• W2783259752 cites W2131036584 @default.
• W2783259752 cites W2168426702 @default.
• W2783259752 cites W2413560912 @default.
• W2783259752 cites W2416598650 @default.
• W2783259752 cites W2517578416 @default.
• W2783259752 cites W2518858157 @default.
• W2783259752 cites W2557852966 @default.
• W2783259752 cites W2588478311 @default.
• W2783259752 cites W2618711762 @default.
• W2783259752 cites W4294236040 @default.
• W2783259752 doi "https://doi.org/10.1002/chem.201705407" @default.
• W2783259752 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29315938" @default.
• W2783259752 hasPublicationYear "2018" @default.
• W2783259752 type Work @default.
• W2783259752 sameAs 2783259752 @default.
• W2783259752 citedByCount "26" @default.
• W2783259752 countsByYear W27832597522018 @default.
• W2783259752 countsByYear W27832597522019 @default.
• W2783259752 countsByYear W27832597522020 @default.
• W2783259752 countsByYear W27832597522021 @default.
• W2783259752 countsByYear W27832597522022 @default.
• W2783259752 countsByYear W27832597522023 @default.
• W2783259752 crossrefType "journal-article" @default.
• W2783259752 hasAuthorship W2783259752A5025634481 @default.
• W2783259752 hasConcept C110121322 @default.
• W2783259752 hasConcept C111472728 @default.
• W2783259752 hasConcept C114614502 @default.
• W2783259752 hasConcept C121332964 @default.
• W2783259752 hasConcept C121864883 @default.
• W2783259752 hasConcept C12713177 @default.
• W2783259752 hasConcept C134306372 @default.
• W2783259752 hasConcept C138885662 @default.
• W2783259752 hasConcept C147597530 @default.
• W2783259752 hasConcept C154945302 @default.
• W2783259752 hasConcept C159985019 @default.
• W2783259752 hasConcept C177264268 @default.
• W2783259752 hasConcept C178790620 @default.
• W2783259752 hasConcept C184720557 @default.
• W2783259752 hasConcept C185592680 @default.
• W2783259752 hasConcept C186060115 @default.
• W2783259752 hasConcept C192386470 @default.
• W2783259752 hasConcept C192562407 @default.
• W2783259752 hasConcept C199360897 @default.
• W2783259752 hasConcept C204323151 @default.
• W2783259752 hasConcept C2524010 @default.
• W2783259752 hasConcept C2780378348 @default.
• W2783259752 hasConcept C2780586882 @default.
• W2783259752 hasConcept C2780861071 @default.
• W2783259752 hasConcept C32909587 @default.
• W2783259752 hasConcept C33923547 @default.
• W2783259752 hasConcept C38803922 @default.
• W2783259752 hasConcept C41008148 @default.
• W2783259752 hasConcept C77618280 @default.
• W2783259752 hasConcept C80444323 @default.
• W2783259752 hasConcept C86803240 @default.
• W2783259752 hasConceptScore W2783259752C110121322 @default.
• W2783259752 hasConceptScore W2783259752C111472728 @default.
• W2783259752 hasConceptScore W2783259752C114614502 @default.
• W2783259752 hasConceptScore W2783259752C121332964 @default.
• W2783259752 hasConceptScore W2783259752C121864883 @default.
• W2783259752 hasConceptScore W2783259752C12713177 @default.
• W2783259752 hasConceptScore W2783259752C134306372 @default.
• W2783259752 hasConceptScore W2783259752C138885662 @default.
• W2783259752 hasConceptScore W2783259752C147597530 @default.
• W2783259752 hasConceptScore W2783259752C154945302 @default.
• W2783259752 hasConceptScore W2783259752C159985019 @default.
• W2783259752 hasConceptScore W2783259752C177264268 @default.
• W2783259752 hasConceptScore W2783259752C178790620 @default.

• next