Matches in SemOpenAlex for { <https://semopenalex.org/work/W4245471002> ?p ?o ?g. }
Showing items 1 to 75 of
75
with 100 items per page.
- W4245471002 endingPage "226" @default.
- W4245471002 startingPage "219" @default.
- W4245471002 abstract "This paper reports the first theoretical treatment of the MgNC↔MgCN isomerization in the X̃2Σ+ electronic ground state. Based on ab initio data, a global potential energy surface encompassing the MgNC and MgCN minima (which both correspond to linear geometries) has been constructed, and this surface has been used, together with global dipole moment surfaces, for calculating 24MgNC/24MgCN rotation–vibration energies and transition moments for states up to about 2150 cm−1 above the vibrational ground state of 24MgNC. The vibrational ground state of 24MgCN is found to be 651 cm−1above that of 24MgNC. The first delocalized state occurs at 2111.9 cm−1. The prospect of implementing the successive stimulated Raman adiabatic passage (STIRAP) method for optically controlling the MgNC↔MgCN isomerization is discussed." @default.
- W4245471002 created "2022-05-12" @default.
- W4245471002 creator A5069477689 @default.
- W4245471002 date "2004-06-01" @default.
- W4245471002 modified "2023-09-30" @default.
- W4245471002 title "A theoretical study of the MgNC/MgCN isomerization in the electronic ground state*1" @default.
- W4245471002 doi "https://doi.org/10.1016/s0022-2860(03)00839-1" @default.
- W4245471002 hasPublicationYear "2004" @default.
- W4245471002 type Work @default.
- W4245471002 citedByCount "0" @default.
- W4245471002 crossrefType "journal-article" @default.
- W4245471002 hasAuthorship W4245471002A5069477689 @default.
- W4245471002 hasConcept C109663097 @default.
- W4245471002 hasConcept C121332964 @default.
- W4245471002 hasConcept C125277925 @default.
- W4245471002 hasConcept C126661725 @default.
- W4245471002 hasConcept C134306372 @default.
- W4245471002 hasConcept C147597530 @default.
- W4245471002 hasConcept C161790260 @default.
- W4245471002 hasConcept C173523689 @default.
- W4245471002 hasConcept C178790620 @default.
- W4245471002 hasConcept C179254644 @default.
- W4245471002 hasConcept C184779094 @default.
- W4245471002 hasConcept C185592680 @default.
- W4245471002 hasConcept C186633575 @default.
- W4245471002 hasConcept C2781442258 @default.
- W4245471002 hasConcept C33923547 @default.
- W4245471002 hasConcept C40003534 @default.
- W4245471002 hasConcept C41999313 @default.
- W4245471002 hasConcept C55493867 @default.
- W4245471002 hasConcept C62520636 @default.
- W4245471002 hasConcept C69523127 @default.
- W4245471002 hasConcept C70050531 @default.
- W4245471002 hasConcept C84551667 @default.
- W4245471002 hasConceptScore W4245471002C109663097 @default.
- W4245471002 hasConceptScore W4245471002C121332964 @default.
- W4245471002 hasConceptScore W4245471002C125277925 @default.
- W4245471002 hasConceptScore W4245471002C126661725 @default.
- W4245471002 hasConceptScore W4245471002C134306372 @default.
- W4245471002 hasConceptScore W4245471002C147597530 @default.
- W4245471002 hasConceptScore W4245471002C161790260 @default.
- W4245471002 hasConceptScore W4245471002C173523689 @default.
- W4245471002 hasConceptScore W4245471002C178790620 @default.
- W4245471002 hasConceptScore W4245471002C179254644 @default.
- W4245471002 hasConceptScore W4245471002C184779094 @default.
- W4245471002 hasConceptScore W4245471002C185592680 @default.
- W4245471002 hasConceptScore W4245471002C186633575 @default.
- W4245471002 hasConceptScore W4245471002C2781442258 @default.
- W4245471002 hasConceptScore W4245471002C33923547 @default.
- W4245471002 hasConceptScore W4245471002C40003534 @default.
- W4245471002 hasConceptScore W4245471002C41999313 @default.
- W4245471002 hasConceptScore W4245471002C55493867 @default.
- W4245471002 hasConceptScore W4245471002C62520636 @default.
- W4245471002 hasConceptScore W4245471002C69523127 @default.
- W4245471002 hasConceptScore W4245471002C70050531 @default.
- W4245471002 hasConceptScore W4245471002C84551667 @default.
- W4245471002 hasLocation W42454710021 @default.
- W4245471002 hasOpenAccess W4245471002 @default.
- W4245471002 hasPrimaryLocation W42454710021 @default.
- W4245471002 hasRelatedWork W1673073027 @default.
- W4245471002 hasRelatedWork W1991911501 @default.
- W4245471002 hasRelatedWork W1992268193 @default.
- W4245471002 hasRelatedWork W2001786168 @default.
- W4245471002 hasRelatedWork W2029512556 @default.
- W4245471002 hasRelatedWork W2035963226 @default.
- W4245471002 hasRelatedWork W2070203645 @default.
- W4245471002 hasRelatedWork W2092851031 @default.
- W4245471002 hasRelatedWork W4297434546 @default.
- W4245471002 hasRelatedWork W4310963939 @default.
- W4245471002 hasVolume "695-696" @default.
- W4245471002 isParatext "false" @default.
- W4245471002 isRetracted "false" @default.
- W4245471002 workType "article" @default.