Matches in SemOpenAlex for { <https://semopenalex.org/work/W2014750838> ?p ?o ?g. }
Showing items 1 to 70 of
70
with 100 items per page.
- W2014750838 endingPage "244" @default.
- W2014750838 startingPage "239" @default.
- W2014750838 abstract "Abstract A general scheme for the calculation of intra- and intermolecular frequencies in molecular crystals is described and demonstrated by calculating lattice vibrations, Gruneizen parameters and Davydov splitting of naphthalene and benzene. It is shown that a small variation of the unit cell dimensions at which the calculations are carried out are reflected in large changes in the calculated lattice frequencies. It is also demonstrated that the relaxation of the forces and torques exerted on the molecules is essential for achieving consistent results. The requirements for carrying out consistent calculations of dynamical properties of crystals using potential functions are outlined." @default.
- W2014750838 created "2016-06-24" @default.
- W2014750838 creator A5041158363 @default.
- W2014750838 creator A5088665303 @default.
- W2014750838 date "1975-04-01" @default.
- W2014750838 modified "2023-09-24" @default.
- W2014750838 title "On the consistent calculation of lattice dynamics using semiempirical potential functions" @default.
- W2014750838 cites W1487531297 @default.
- W2014750838 cites W1973000366 @default.
- W2014750838 cites W1975653405 @default.
- W2014750838 cites W1979313952 @default.
- W2014750838 cites W1979837369 @default.
- W2014750838 cites W2005622927 @default.
- W2014750838 cites W2011635825 @default.
- W2014750838 cites W2014636821 @default.
- W2014750838 cites W2030332222 @default.
- W2014750838 cites W2031106048 @default.
- W2014750838 cites W2034012751 @default.
- W2014750838 cites W2037159328 @default.
- W2014750838 cites W2041657119 @default.
- W2014750838 cites W2043005857 @default.
- W2014750838 cites W2083218968 @default.
- W2014750838 cites W2153013505 @default.
- W2014750838 cites W2798365353 @default.
- W2014750838 cites W4230664705 @default.
- W2014750838 doi "https://doi.org/10.1016/0301-0104(75)80113-3" @default.
- W2014750838 hasPublicationYear "1975" @default.
- W2014750838 type Work @default.
- W2014750838 sameAs 2014750838 @default.
- W2014750838 citedByCount "6" @default.
- W2014750838 countsByYear W20147508382016 @default.
- W2014750838 countsByYear W20147508382019 @default.
- W2014750838 crossrefType "journal-article" @default.
- W2014750838 hasAuthorship W2014750838A5041158363 @default.
- W2014750838 hasAuthorship W2014750838A5088665303 @default.
- W2014750838 hasConcept C121332964 @default.
- W2014750838 hasConcept C121864883 @default.
- W2014750838 hasConcept C145912823 @default.
- W2014750838 hasConcept C147597530 @default.
- W2014750838 hasConcept C185592680 @default.
- W2014750838 hasConcept C24890656 @default.
- W2014750838 hasConcept C2781204021 @default.
- W2014750838 hasConceptScore W2014750838C121332964 @default.
- W2014750838 hasConceptScore W2014750838C121864883 @default.
- W2014750838 hasConceptScore W2014750838C145912823 @default.
- W2014750838 hasConceptScore W2014750838C147597530 @default.
- W2014750838 hasConceptScore W2014750838C185592680 @default.
- W2014750838 hasConceptScore W2014750838C24890656 @default.
- W2014750838 hasConceptScore W2014750838C2781204021 @default.
- W2014750838 hasIssue "1-2" @default.
- W2014750838 hasLocation W20147508381 @default.
- W2014750838 hasOpenAccess W2014750838 @default.
- W2014750838 hasPrimaryLocation W20147508381 @default.
- W2014750838 hasRelatedWork W1969116739 @default.
- W2014750838 hasRelatedWork W2033589463 @default.
- W2014750838 hasRelatedWork W2057499724 @default.
- W2014750838 hasRelatedWork W2057640882 @default.
- W2014750838 hasRelatedWork W2125013059 @default.
- W2014750838 hasRelatedWork W2949713385 @default.
- W2014750838 hasRelatedWork W2953125207 @default.
- W2014750838 hasRelatedWork W3045648531 @default.
- W2014750838 hasRelatedWork W33244840 @default.
- W2014750838 hasRelatedWork W2510219280 @default.
- W2014750838 hasVolume "8" @default.
- W2014750838 isParatext "false" @default.
- W2014750838 isRetracted "false" @default.
- W2014750838 magId "2014750838" @default.
- W2014750838 workType "article" @default.