Matches in SemOpenAlex for { <https://semopenalex.org/work/W2364921318> ?p ?o ?g. }
Showing items 1 to 77 of
77
with 100 items per page.
- W2364921318 abstract "The possible electronic states and their reasonable dissociation limits for BeF are determined based on the atomic and molecular reaction statics.The energy,equilibrium geometry and harmonic frequency of the ground state X2∑+ have been calculated by using density functional theory B3P86 method and the basis sets of 6-311G,6-311++G,6-311G(3df,3pd),cc-PVQZ and cc-PVTZ.The whole potential curve as a function of the Be-F distance was scanned using B3P86/6-311G(3df,3pd).And then the calculated potential was fitted by a least square fitted to the Murrell-Sorbie function.And last spectroscopy constants(Be,αe,ωe,and ωeχe) were calculated,which are in good agreement with the experimental data." @default.
- W2364921318 created "2016-06-24" @default.
- W2364921318 creator A5033261367 @default.
- W2364921318 date "2009-01-01" @default.
- W2364921318 modified "2023-09-28" @default.
- W2364921318 title "Study on the Potential Energy Function for the Ground State(X~2∑~+) of BeF Molecule by Density Functional Theory" @default.
- W2364921318 hasPublicationYear "2009" @default.
- W2364921318 type Work @default.
- W2364921318 sameAs 2364921318 @default.
- W2364921318 citedByCount "0" @default.
- W2364921318 crossrefType "journal-article" @default.
- W2364921318 hasAuthorship W2364921318A5033261367 @default.
- W2364921318 hasConcept C102931765 @default.
- W2364921318 hasConcept C121332964 @default.
- W2364921318 hasConcept C14036430 @default.
- W2364921318 hasConcept C147597530 @default.
- W2364921318 hasConcept C147789679 @default.
- W2364921318 hasConcept C152365726 @default.
- W2364921318 hasConcept C178790620 @default.
- W2364921318 hasConcept C184779094 @default.
- W2364921318 hasConcept C185592680 @default.
- W2364921318 hasConcept C2992321928 @default.
- W2364921318 hasConcept C32909587 @default.
- W2364921318 hasConcept C35441770 @default.
- W2364921318 hasConcept C41999313 @default.
- W2364921318 hasConcept C62396407 @default.
- W2364921318 hasConcept C62520636 @default.
- W2364921318 hasConcept C69523127 @default.
- W2364921318 hasConcept C78458016 @default.
- W2364921318 hasConcept C84551667 @default.
- W2364921318 hasConcept C86803240 @default.
- W2364921318 hasConceptScore W2364921318C102931765 @default.
- W2364921318 hasConceptScore W2364921318C121332964 @default.
- W2364921318 hasConceptScore W2364921318C14036430 @default.
- W2364921318 hasConceptScore W2364921318C147597530 @default.
- W2364921318 hasConceptScore W2364921318C147789679 @default.
- W2364921318 hasConceptScore W2364921318C152365726 @default.
- W2364921318 hasConceptScore W2364921318C178790620 @default.
- W2364921318 hasConceptScore W2364921318C184779094 @default.
- W2364921318 hasConceptScore W2364921318C185592680 @default.
- W2364921318 hasConceptScore W2364921318C2992321928 @default.
- W2364921318 hasConceptScore W2364921318C32909587 @default.
- W2364921318 hasConceptScore W2364921318C35441770 @default.
- W2364921318 hasConceptScore W2364921318C41999313 @default.
- W2364921318 hasConceptScore W2364921318C62396407 @default.
- W2364921318 hasConceptScore W2364921318C62520636 @default.
- W2364921318 hasConceptScore W2364921318C69523127 @default.
- W2364921318 hasConceptScore W2364921318C78458016 @default.
- W2364921318 hasConceptScore W2364921318C84551667 @default.
- W2364921318 hasConceptScore W2364921318C86803240 @default.
- W2364921318 hasLocation W23649213181 @default.
- W2364921318 hasOpenAccess W2364921318 @default.
- W2364921318 hasPrimaryLocation W23649213181 @default.
- W2364921318 hasRelatedWork W2353945087 @default.
- W2364921318 hasRelatedWork W2354644312 @default.
- W2364921318 hasRelatedWork W2356568093 @default.
- W2364921318 hasRelatedWork W2357623619 @default.
- W2364921318 hasRelatedWork W2363169502 @default.
- W2364921318 hasRelatedWork W2363416633 @default.
- W2364921318 hasRelatedWork W2364655089 @default.
- W2364921318 hasRelatedWork W2367755308 @default.
- W2364921318 hasRelatedWork W2372391968 @default.
- W2364921318 hasRelatedWork W2377126977 @default.
- W2364921318 hasRelatedWork W2377766880 @default.
- W2364921318 hasRelatedWork W2382957257 @default.
- W2364921318 hasRelatedWork W2388060680 @default.
- W2364921318 hasRelatedWork W2391578556 @default.
- W2364921318 hasRelatedWork W2392624762 @default.
- W2364921318 hasRelatedWork W2393130761 @default.
- W2364921318 hasRelatedWork W2743123307 @default.
- W2364921318 hasRelatedWork W2978861954 @default.
- W2364921318 hasRelatedWork W3010086949 @default.
- W2364921318 hasRelatedWork W2406462126 @default.
- W2364921318 isParatext "false" @default.
- W2364921318 isRetracted "false" @default.
- W2364921318 magId "2364921318" @default.
- W2364921318 workType "article" @default.