Matches in SemOpenAlex for { <https://semopenalex.org/work/W2053218355> ?p ?o ?g. }
- W2053218355 abstract "Abstract The electrostatic part of the lattice energy in iodide salts of mono-nitrogen organic bases was evaluated by adopting the Ewald method. The calculations were performed for compounds for which a complete or at least a partial crystal structure is known. In the case of incomplete structures the modified neglect of diatomic overlap (MNDO) optimization procedure was applied to find the unknown positions of atoms. The electrostatic energy calculations were carried out with the assumption that the negative (−1) charge is localized at the iodine atom and the positive (+1) charge is located on the N atom or distributed between all the atoms in the cation. The charge distribution in the isolated cation was evaluated by applying CNDO/2, INDO and MNDO quantum chemistry methods. The electrostatic energy values thus derived were compared with values reported in the literature for the crystal lattice energy determined either theoretically or experimentally. The agreement between these characteristics appeared to be very satisfactory, indicating that, in the compounds studied, the main contribution to the cohesive forces is brought by electrostatic (Coulombic) interactions." @default.
- W2053218355 created "2016-06-24" @default.
- W2053218355 creator A5007897669 @default.
- W2053218355 creator A5063661309 @default.
- W2053218355 creator A5065840855 @default.
- W2053218355 date "1991-03-01" @default.
- W2053218355 modified "2023-09-26" @default.
- W2053218355 title "The electrostatic energy in iodide salts of mono-nitrogen organic bases" @default.
- W2053218355 cites W1024027452 @default.
- W2053218355 cites W1964495182 @default.
- W2053218355 cites W1970592672 @default.
- W2053218355 cites W1976085322 @default.
- W2053218355 cites W1976106600 @default.
- W2053218355 cites W1977051343 @default.
- W2053218355 cites W1980017300 @default.
- W2053218355 cites W1983729743 @default.
- W2053218355 cites W1984483395 @default.
- W2053218355 cites W1994319522 @default.
- W2053218355 cites W1995811713 @default.
- W2053218355 cites W1998200259 @default.
- W2053218355 cites W1998706156 @default.
- W2053218355 cites W2001081605 @default.
- W2053218355 cites W2001676859 @default.
- W2053218355 cites W2003547058 @default.
- W2053218355 cites W2004161503 @default.
- W2053218355 cites W2006930438 @default.
- W2053218355 cites W2008913198 @default.
- W2053218355 cites W2009895696 @default.
- W2053218355 cites W2020251299 @default.
- W2053218355 cites W2027748502 @default.
- W2053218355 cites W2033262464 @default.
- W2053218355 cites W2033729287 @default.
- W2053218355 cites W2035285562 @default.
- W2053218355 cites W2037454838 @default.
- W2053218355 cites W2044923976 @default.
- W2053218355 cites W2048807795 @default.
- W2053218355 cites W2050071983 @default.
- W2053218355 cites W2052908143 @default.
- W2053218355 cites W2059812010 @default.
- W2053218355 cites W2067574972 @default.
- W2053218355 cites W2071613083 @default.
- W2053218355 cites W2085473307 @default.
- W2053218355 cites W2086124825 @default.
- W2053218355 cites W2087138441 @default.
- W2053218355 cites W2091499561 @default.
- W2053218355 cites W2092699256 @default.
- W2053218355 cites W2097710122 @default.
- W2053218355 cites W2110464078 @default.
- W2053218355 cites W2149777051 @default.
- W2053218355 cites W2171317653 @default.
- W2053218355 cites W2174001264 @default.
- W2053218355 cites W2193361705 @default.
- W2053218355 cites W2216543475 @default.
- W2053218355 cites W2328380682 @default.
- W2053218355 cites W3005259237 @default.
- W2053218355 cites W4232501846 @default.
- W2053218355 cites W4243952078 @default.
- W2053218355 cites W2056395480 @default.
- W2053218355 cites W2070071785 @default.
- W2053218355 doi "https://doi.org/10.1016/0040-6031(91)80273-l" @default.
- W2053218355 hasPublicationYear "1991" @default.
- W2053218355 type Work @default.
- W2053218355 sameAs 2053218355 @default.
- W2053218355 citedByCount "10" @default.
- W2053218355 crossrefType "journal-article" @default.
- W2053218355 hasAuthorship W2053218355A5007897669 @default.
- W2053218355 hasAuthorship W2053218355A5063661309 @default.
- W2053218355 hasAuthorship W2053218355A5065840855 @default.
- W2053218355 hasConcept C111806078 @default.
- W2053218355 hasConcept C115624301 @default.
- W2053218355 hasConcept C117626034 @default.
- W2053218355 hasConcept C12892243 @default.
- W2053218355 hasConcept C131468747 @default.
- W2053218355 hasConcept C147368240 @default.
- W2053218355 hasConcept C147597530 @default.
- W2053218355 hasConcept C147789679 @default.
- W2053218355 hasConcept C149635348 @default.
- W2053218355 hasConcept C178790620 @default.
- W2053218355 hasConcept C179104552 @default.
- W2053218355 hasConcept C185592680 @default.
- W2053218355 hasConcept C22994065 @default.
- W2053218355 hasConcept C2778153843 @default.
- W2053218355 hasConcept C2778870691 @default.
- W2053218355 hasConcept C32909587 @default.
- W2053218355 hasConcept C41008148 @default.
- W2053218355 hasConcept C58312451 @default.
- W2053218355 hasConcept C8010536 @default.
- W2053218355 hasConcept C93275456 @default.
- W2053218355 hasConcept C95306019 @default.
- W2053218355 hasConceptScore W2053218355C111806078 @default.
- W2053218355 hasConceptScore W2053218355C115624301 @default.
- W2053218355 hasConceptScore W2053218355C117626034 @default.
- W2053218355 hasConceptScore W2053218355C12892243 @default.
- W2053218355 hasConceptScore W2053218355C131468747 @default.
- W2053218355 hasConceptScore W2053218355C147368240 @default.
- W2053218355 hasConceptScore W2053218355C147597530 @default.
- W2053218355 hasConceptScore W2053218355C147789679 @default.
- W2053218355 hasConceptScore W2053218355C149635348 @default.
- W2053218355 hasConceptScore W2053218355C178790620 @default.
- W2053218355 hasConceptScore W2053218355C179104552 @default.