Electronic Spectra of Conjugated Systems: A Modern Update for a Classic Experiment

• Leonard J. Soltzberg ^[1]
  1. [1] Simmons College

     Simmons College

     City of Boston, Estados Unidos

     
• Localización: Journal of chemical education, ISSN 0021-9584, Vol. 78, Nº 10, 2001, pág. 1432
• Idioma: inglés
• Texto completo no disponible (Saber más ...)
• Resumen

  • This junior/senior physical chemistry experiment improves upon a classic physical chemistry laboratory by incorporating multielectron configuration interaction (MECI), as implemented in desktop molecular modeling software. In addition to integrating computational chemistry with laboratory work, this experiment gives practical significance to several concepts in quantum chemistry and molecular modeling.