Ab initio calculations of dilithiopropenes
AUTOR(ES)
Kost, Daniel
RESUMO
Ab initio molecular orbital calculations with the 3-21G basis set show the most stable dilithiopropene structure to be the di-π lithium-bridged structure VI of 1,3-dilithiopropene. This structure is most simply regarded as an ion triplet of two lithium cations and a propenylidene dianion.
ACESSO AO ARTIGO
http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=346543Documentos Relacionados
- Ab initio molecular dynamics calculations of ion hydration free energies
- CRISTAIS DE ÃCIDO GLUTÃMICO: CRESCIMENTO, CARACTERIZAÃÃO E CÃLCULOS AB INITIO
- Theoretical study of sensors based on CNx nanotubes with ab initio calculations.
- Ab Initio calculations of interactions betweeen Cd and nitrogenous bases o DNA
- Vibrational spectra of bis(dmit) complexes of main group metals: IR, Raman and ab initio calculations
