Matches in SemOpenAlex for { <https://semopenalex.org/work/W75458634> ?p ?o ?g. }
Showing items 1 to 49 of
49
with 100 items per page.
- W75458634 abstract "The dependences of total energy, pressure and frequencies of long-wave vibrations on balanced unit cell volume have been computed by the method of atomic orbital linear combination with exchange-correlation potential gradient approximation of electron density functional theory of CRYSTAL09 software package. Thermodynamic functions of internal energy, free energy, free enthalpy, enthalpy, entropy and heat capacity as well as Gruneisen thermodynamic parameter were determined on this base. It was shown that average vibration frequency increases at pressure growth that results in increase of internal and free energies and enthalpies, decrease of entropy and heat capacity. Gruneisen parameter for balanced volume equals ~1,6 and it decreases at pressure growth thermal pressure changes in its turn in the range of 2…3 GPa. The combination of the applied techniques and the obtained results represents the implementation of first principle method for constructing thermal equation of silver azide state." @default.
- W75458634 created "2016-06-24" @default.
- W75458634 creator A5033258726 @default.
- W75458634 creator A5070222430 @default.
- W75458634 date "2011-01-01" @default.
- W75458634 modified "2023-09-28" @default.
- W75458634 title "Первопринципные исследования колебательной структуры и термодинамических функций азида серебра" @default.
- W75458634 hasPublicationYear "2011" @default.
- W75458634 type Work @default.
- W75458634 sameAs 75458634 @default.
- W75458634 citedByCount "0" @default.
- W75458634 crossrefType "journal-article" @default.
- W75458634 hasAuthorship W75458634A5033258726 @default.
- W75458634 hasAuthorship W75458634A5070222430 @default.
- W75458634 hasConcept C106301342 @default.
- W75458634 hasConcept C121332964 @default.
- W75458634 hasConcept C185592680 @default.
- W75458634 hasConcept C18747710 @default.
- W75458634 hasConcept C198394728 @default.
- W75458634 hasConcept C204530211 @default.
- W75458634 hasConcept C2776703392 @default.
- W75458634 hasConcept C31169546 @default.
- W75458634 hasConcept C3288061 @default.
- W75458634 hasConcept C60205243 @default.
- W75458634 hasConcept C62520636 @default.
- W75458634 hasConcept C65494353 @default.
- W75458634 hasConcept C97355855 @default.
- W75458634 hasConceptScore W75458634C106301342 @default.
- W75458634 hasConceptScore W75458634C121332964 @default.
- W75458634 hasConceptScore W75458634C185592680 @default.
- W75458634 hasConceptScore W75458634C18747710 @default.
- W75458634 hasConceptScore W75458634C198394728 @default.
- W75458634 hasConceptScore W75458634C204530211 @default.
- W75458634 hasConceptScore W75458634C2776703392 @default.
- W75458634 hasConceptScore W75458634C31169546 @default.
- W75458634 hasConceptScore W75458634C3288061 @default.
- W75458634 hasConceptScore W75458634C60205243 @default.
- W75458634 hasConceptScore W75458634C62520636 @default.
- W75458634 hasConceptScore W75458634C65494353 @default.
- W75458634 hasConceptScore W75458634C97355855 @default.
- W75458634 hasIssue "2" @default.
- W75458634 hasLocation W754586341 @default.
- W75458634 hasOpenAccess W75458634 @default.
- W75458634 hasPrimaryLocation W754586341 @default.
- W75458634 hasVolume "319" @default.
- W75458634 isParatext "false" @default.
- W75458634 isRetracted "false" @default.
- W75458634 magId "75458634" @default.
- W75458634 workType "article" @default.