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

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

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...

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Veröffentlicht in:Journal of chemical education 2001-10, Vol.78 (10), p.1432
1. Verfasser: Soltzberg, Leonard J
Format: Artikel
Sprache:eng
Schlagworte:
Chemistry
Configuration interaction
Electronic spectra
Electrons
Methods
Organic chemistry
Physical chemistry
Science education
Software
Upgrading
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Beschreibung
Zusammenfassung: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.
ISSN:0021-9584
1938-1328
DOI:10.1021/ed078p1432