FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2020674673> ?p ?o ?g. }

• W2020674673 abstract "Different criteria of localization of one-electron states in crystals are discussed and relations between them are established. A new localization criterion determined only by the localized orbital (LO) itself is formulated. The importance of the symmetry analysis in the procedure of the generation of maximally LOs in crystals is shown. It is suggested that the numerical parameters of the LOs corresponding to the valence energy bands of the crystal can be used in the theory of chemical bonding only if these functions form bases of irreducible representations of site symmetry groups of atoms and bonds in crystals. General considerations are illustrated on the examples of LOs corresponding to the valence energy bands in $mathrm{Sr}mathrm{Zr}{mathrm{O}}_{3}$ and MgO crystals. There is in $mathrm{Sr}mathrm{Zr}{mathrm{O}}_{3}$ a LO describing a partly covalent bond between oxygen and zirconium atoms with the degree of covalency $K=0.46$. When applied to the MgO crystal the suggested approach confirms a purely ionic nature of chemical bonding in this crystal." @default.
• W2020674673 created "2016-06-24" @default.
• W2020674673 creator A5031884651 @default.
• W2020674673 creator A5089372593 @default.
• W2020674673 date "2005-08-26" @default.
• W2020674673 modified "2023-10-17" @default.
• W2020674673 title "Symmetry analysis for localized function generation and chemical bonding in crystals:<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mi mathvariant=normal>Sr</mml:mi><mml:mi mathvariant=normal>Zr</mml:mi><mml:msub><mml:mi mathvariant=normal>O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>and MgO as examples" @default.
• W2020674673 cites W1513923893 @default.
• W2020674673 cites W1650728208 @default.
• W2020674673 cites W1661039882 @default.
• W2020674673 cites W1966403505 @default.
• W2020674673 cites W1978347686 @default.
• W2020674673 cites W1980184817 @default.
• W2020674673 cites W1981368803 @default.
• W2020674673 cites W1983552266 @default.
• W2020674673 cites W1991050432 @default.
• W2020674673 cites W1991185492 @default.
• W2020674673 cites W1994130623 @default.
• W2020674673 cites W1995706511 @default.
• W2020674673 cites W1995925853 @default.
• W2020674673 cites W2019958399 @default.
• W2020674673 cites W2036113194 @default.
• W2020674673 cites W2037873175 @default.
• W2020674673 cites W2068617439 @default.
• W2020674673 cites W2070616942 @default.
• W2020674673 cites W2072906792 @default.
• W2020674673 cites W2077967446 @default.
• W2020674673 cites W2103826452 @default.
• W2020674673 cites W2164805481 @default.
• W2020674673 cites W2166407682 @default.
• W2020674673 cites W2482908304 @default.
• W2020674673 cites W3104339053 @default.
• W2020674673 cites W4210981797 @default.
• W2020674673 doi "https://doi.org/10.1103/physrevb.72.075138" @default.
• W2020674673 hasPublicationYear "2005" @default.
• W2020674673 type Work @default.
• W2020674673 sameAs 2020674673 @default.
• W2020674673 citedByCount "5" @default.
• W2020674673 countsByYear W20206746732012 @default.
• W2020674673 countsByYear W20206746732013 @default.
• W2020674673 countsByYear W20206746732018 @default.
• W2020674673 crossrefType "journal-article" @default.
• W2020674673 hasAuthorship W2020674673A5031884651 @default.
• W2020674673 hasAuthorship W2020674673A5089372593 @default.
• W2020674673 hasConcept C115624301 @default.
• W2020674673 hasConcept C121332964 @default.
• W2020674673 hasConcept C145148216 @default.
• W2020674673 hasConcept C147120987 @default.
• W2020674673 hasConcept C168900304 @default.
• W2020674673 hasConcept C178213299 @default.
• W2020674673 hasConcept C180577832 @default.
• W2020674673 hasConcept C184779094 @default.
• W2020674673 hasConcept C185592680 @default.
• W2020674673 hasConcept C192562407 @default.
• W2020674673 hasConcept C198179714 @default.
• W2020674673 hasConcept C199360897 @default.
• W2020674673 hasConcept C2182769 @default.
• W2020674673 hasConcept C2524010 @default.
• W2020674673 hasConcept C2779886137 @default.
• W2020674673 hasConcept C2781285689 @default.
• W2020674673 hasConcept C2993376436 @default.
• W2020674673 hasConcept C33923547 @default.
• W2020674673 hasConcept C41008148 @default.
• W2020674673 hasConcept C62520636 @default.
• W2020674673 hasConcept C8010536 @default.
• W2020674673 hasConceptScore W2020674673C115624301 @default.
• W2020674673 hasConceptScore W2020674673C121332964 @default.
• W2020674673 hasConceptScore W2020674673C145148216 @default.
• W2020674673 hasConceptScore W2020674673C147120987 @default.
• W2020674673 hasConceptScore W2020674673C168900304 @default.
• W2020674673 hasConceptScore W2020674673C178213299 @default.
• W2020674673 hasConceptScore W2020674673C180577832 @default.
• W2020674673 hasConceptScore W2020674673C184779094 @default.
• W2020674673 hasConceptScore W2020674673C185592680 @default.
• W2020674673 hasConceptScore W2020674673C192562407 @default.
• W2020674673 hasConceptScore W2020674673C198179714 @default.
• W2020674673 hasConceptScore W2020674673C199360897 @default.
• W2020674673 hasConceptScore W2020674673C2182769 @default.
• W2020674673 hasConceptScore W2020674673C2524010 @default.
• W2020674673 hasConceptScore W2020674673C2779886137 @default.
• W2020674673 hasConceptScore W2020674673C2781285689 @default.
• W2020674673 hasConceptScore W2020674673C2993376436 @default.
• W2020674673 hasConceptScore W2020674673C33923547 @default.
• W2020674673 hasConceptScore W2020674673C41008148 @default.
• W2020674673 hasConceptScore W2020674673C62520636 @default.
• W2020674673 hasConceptScore W2020674673C8010536 @default.
• W2020674673 hasIssue "7" @default.
• W2020674673 hasLocation W20206746731 @default.
• W2020674673 hasOpenAccess W2020674673 @default.
• W2020674673 hasPrimaryLocation W20206746731 @default.
• W2020674673 hasRelatedWork W1967427815 @default.
• W2020674673 hasRelatedWork W1968170180 @default.
• W2020674673 hasRelatedWork W1987830795 @default.
• W2020674673 hasRelatedWork W1989047421 @default.
• W2020674673 hasRelatedWork W2025333229 @default.
• W2020674673 hasRelatedWork W2029309917 @default.
• W2020674673 hasRelatedWork W2046749518 @default.
• W2020674673 hasRelatedWork W2064729861 @default.
• W2020674673 hasRelatedWork W2088231161 @default.
• W2020674673 hasRelatedWork W2401307069 @default.

• next