Matches in SemOpenAlex for { <https://semopenalex.org/work/W2076397725> ?p ?o ?g. }
Showing items 1 to 61 of
61
with 100 items per page.
- W2076397725 endingPage "s111" @default.
- W2076397725 startingPage "s111" @default.
- W2076397725 abstract "The teraHertz range (60 GHz 4 THz = 2-130 cm) is a relatively unexplored, but information-rich part of the vibrational spectrum of molecular crystals. The motions in this frequency range are at lower energies than most of the internal vibrations ofmolecules (e.g., bond stretching and angle bending), but correspond instead to translations and librations of molecules. Thus, spectroscopic and computational investigations of this frequency range are a source of information on the intermolecular interactions in molecular crystals. Lattice dynamics calculations are being developed within the crystal structure modelling program DMAREL[1-2], for the use of elaborate model intermolecular potentials. Such calculations have been performed to characterise the measured teraHertz spectra of several molecular organic crystals, correlating regions of the spectra to distortions of certain intermolecular interactions. One of the systems studied is the polymorphic pharmaceuticalmolecule carbamazepine, whose basic hydrogen bonding amide dimers remains unchanged between polymorphs (Figure)." @default.
- W2076397725 created "2016-06-24" @default.
- W2076397725 creator A5065827561 @default.
- W2076397725 date "2006-08-06" @default.
- W2076397725 modified "2023-09-26" @default.
- W2076397725 title "Computational investigations of the influence of polymorphism on the lattice dynamics of molecular organic crystals" @default.
- W2076397725 doi "https://doi.org/10.1107/s0108767306097789" @default.
- W2076397725 hasPublicationYear "2006" @default.
- W2076397725 type Work @default.
- W2076397725 sameAs 2076397725 @default.
- W2076397725 citedByCount "0" @default.
- W2076397725 crossrefType "journal-article" @default.
- W2076397725 hasAuthorship W2076397725A5065827561 @default.
- W2076397725 hasBestOaLocation W20763977251 @default.
- W2076397725 hasConcept C104317684 @default.
- W2076397725 hasConcept C121332964 @default.
- W2076397725 hasConcept C121864883 @default.
- W2076397725 hasConcept C135763542 @default.
- W2076397725 hasConcept C147597530 @default.
- W2076397725 hasConcept C149737253 @default.
- W2076397725 hasConcept C159467904 @default.
- W2076397725 hasConcept C185592680 @default.
- W2076397725 hasConcept C192562407 @default.
- W2076397725 hasConcept C24890656 @default.
- W2076397725 hasConcept C2781204021 @default.
- W2076397725 hasConcept C55493867 @default.
- W2076397725 hasConcept C59593255 @default.
- W2076397725 hasConceptScore W2076397725C104317684 @default.
- W2076397725 hasConceptScore W2076397725C121332964 @default.
- W2076397725 hasConceptScore W2076397725C121864883 @default.
- W2076397725 hasConceptScore W2076397725C135763542 @default.
- W2076397725 hasConceptScore W2076397725C147597530 @default.
- W2076397725 hasConceptScore W2076397725C149737253 @default.
- W2076397725 hasConceptScore W2076397725C159467904 @default.
- W2076397725 hasConceptScore W2076397725C185592680 @default.
- W2076397725 hasConceptScore W2076397725C192562407 @default.
- W2076397725 hasConceptScore W2076397725C24890656 @default.
- W2076397725 hasConceptScore W2076397725C2781204021 @default.
- W2076397725 hasConceptScore W2076397725C55493867 @default.
- W2076397725 hasConceptScore W2076397725C59593255 @default.
- W2076397725 hasIssue "a1" @default.
- W2076397725 hasLocation W20763977251 @default.
- W2076397725 hasOpenAccess W2076397725 @default.
- W2076397725 hasPrimaryLocation W20763977251 @default.
- W2076397725 hasRelatedWork W1998490195 @default.
- W2076397725 hasRelatedWork W2042638827 @default.
- W2076397725 hasRelatedWork W2316398224 @default.
- W2076397725 hasRelatedWork W2483187380 @default.
- W2076397725 hasRelatedWork W2753628089 @default.
- W2076397725 hasRelatedWork W2999624678 @default.
- W2076397725 hasRelatedWork W3112407849 @default.
- W2076397725 hasRelatedWork W3122373247 @default.
- W2076397725 hasRelatedWork W3197904740 @default.
- W2076397725 hasRelatedWork W4281654480 @default.
- W2076397725 hasVolume "62" @default.
- W2076397725 isParatext "false" @default.
- W2076397725 isRetracted "false" @default.
- W2076397725 magId "2076397725" @default.
- W2076397725 workType "article" @default.