Matches in SemOpenAlex for { <https://semopenalex.org/work/W4283703205> ?p ?o ?g. }
- W4283703205 endingPage "4516" @default.
- W4283703205 startingPage "4507" @default.
- W4283703205 abstract "Using perturbation theory within the framework of conceptual density functional theory, we derive a lower bound for the lattice energy of the ionic solids. The main element of the lower bound is the Fukui potential in the nuclei of the molecule corresponding to the unit formula of the solid. Thus, we propose a model to calculate the lattice energy in terms of the Fukui potential. Our method, which is extremely simple, performs well as other methods using the crystal structure information of alkali halide solids. The method proposed here correlates surprisingly well with the experimental data on the lattice energy of a diverse series of solids having even a non-negligible covalent characteristic. Finally, the validity of the maximum hardness principle (MHP) is assessed, showing that in this case, the MHP is limited." @default.
- W4283703205 created "2022-06-30" @default.
- W4283703205 creator A5036031701 @default.
- W4283703205 creator A5047131774 @default.
- W4283703205 creator A5049586173 @default.
- W4283703205 creator A5060040447 @default.
- W4283703205 creator A5078915866 @default.
- W4283703205 date "2022-06-29" @default.
- W4283703205 modified "2023-10-05" @default.
- W4283703205 title "On the Prediction of Lattice Energy with the Fukui Potential: Some Supports on Hardness Maximization in Inorganic Solids" @default.
- W4283703205 cites W1819587267 @default.
- W4283703205 cites W1977865698 @default.
- W4283703205 cites W1979558973 @default.
- W4283703205 cites W1979900513 @default.
- W4283703205 cites W1979937513 @default.
- W4283703205 cites W1990753116 @default.
- W4283703205 cites W1999501007 @default.
- W4283703205 cites W2001728860 @default.
- W4283703205 cites W2004323589 @default.
- W4283703205 cites W2005877813 @default.
- W4283703205 cites W2006403673 @default.
- W4283703205 cites W2008708918 @default.
- W4283703205 cites W2009458392 @default.
- W4283703205 cites W2017340129 @default.
- W4283703205 cites W2024833524 @default.
- W4283703205 cites W2028781077 @default.
- W4283703205 cites W2031307917 @default.
- W4283703205 cites W2032664354 @default.
- W4283703205 cites W2032716289 @default.
- W4283703205 cites W2038168985 @default.
- W4283703205 cites W2041205041 @default.
- W4283703205 cites W2041670477 @default.
- W4283703205 cites W2041807759 @default.
- W4283703205 cites W2044202126 @default.
- W4283703205 cites W2045701798 @default.
- W4283703205 cites W2053110201 @default.
- W4283703205 cites W2068559689 @default.
- W4283703205 cites W2073456063 @default.
- W4283703205 cites W2075031965 @default.
- W4283703205 cites W2076860217 @default.
- W4283703205 cites W2086458318 @default.
- W4283703205 cites W2088954793 @default.
- W4283703205 cites W2089251862 @default.
- W4283703205 cites W2090690504 @default.
- W4283703205 cites W2090880598 @default.
- W4283703205 cites W2101958915 @default.
- W4283703205 cites W2106589640 @default.
- W4283703205 cites W2106851408 @default.
- W4283703205 cites W2122399501 @default.
- W4283703205 cites W2128332443 @default.
- W4283703205 cites W2318513852 @default.
- W4283703205 cites W2332136158 @default.
- W4283703205 cites W2334446444 @default.
- W4283703205 cites W2345860839 @default.
- W4283703205 cites W2413090485 @default.
- W4283703205 cites W2413774837 @default.
- W4283703205 cites W2498841285 @default.
- W4283703205 cites W2510750479 @default.
- W4283703205 cites W2563764368 @default.
- W4283703205 cites W2618218559 @default.
- W4283703205 cites W2782457736 @default.
- W4283703205 cites W2980217259 @default.
- W4283703205 cites W3015504984 @default.
- W4283703205 cites W3081595573 @default.
- W4283703205 cites W3122187400 @default.
- W4283703205 cites W3168413432 @default.
- W4283703205 cites W4231174424 @default.
- W4283703205 cites W4255078069 @default.
- W4283703205 doi "https://doi.org/10.1021/acs.jpca.1c09898" @default.
- W4283703205 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35766899" @default.
- W4283703205 hasPublicationYear "2022" @default.
- W4283703205 type Work @default.
- W4283703205 citedByCount "8" @default.
- W4283703205 countsByYear W42837032052022 @default.
- W4283703205 countsByYear W42837032052023 @default.
- W4283703205 crossrefType "journal-article" @default.
- W4283703205 hasAuthorship W4283703205A5036031701 @default.
- W4283703205 hasAuthorship W4283703205A5047131774 @default.
- W4283703205 hasAuthorship W4283703205A5049586173 @default.
- W4283703205 hasAuthorship W4283703205A5060040447 @default.
- W4283703205 hasAuthorship W4283703205A5078915866 @default.
- W4283703205 hasBestOaLocation W42837032051 @default.
- W4283703205 hasConcept C115624301 @default.
- W4283703205 hasConcept C121332964 @default.
- W4283703205 hasConcept C121864883 @default.
- W4283703205 hasConcept C131468747 @default.
- W4283703205 hasConcept C132612359 @default.
- W4283703205 hasConcept C145148216 @default.
- W4283703205 hasConcept C147597530 @default.
- W4283703205 hasConcept C152365726 @default.
- W4283703205 hasConcept C171560689 @default.
- W4283703205 hasConcept C178790620 @default.
- W4283703205 hasConcept C179104552 @default.
- W4283703205 hasConcept C185592680 @default.
- W4283703205 hasConcept C198091228 @default.
- W4283703205 hasConcept C207114421 @default.
- W4283703205 hasConcept C2182769 @default.
- W4283703205 hasConcept C24890656 @default.