Theoretical modeling of alkynes

International Journal of Quantum Chemistry

Volumn 95, Issue 2, 2003, Pages 137-143

  Rosseto, Renato ^a   Vargas, Maria Domingues ^a   Del Nero, Jordan ^b  

^a UNIVERSITY OF CAMPINAS   (Brazil)

^b FEDERAL UNIVERSITY OF PARÁ   (Brazil)

Author keywords

Alkyne; Experimental absorption spectra; Semiempirical CI method (AM1 CI); Theoretical absorption spectra (INDO S CI); Theoretical emission spectra (DNdM INDO S CI)

Indexed keywords

ABSORPTION; ABSORPTION SPECTROSCOPY; CHEMICAL MODIFICATION; COMPUTER SIMULATION; ELECTRONIC DENSITY OF STATES; EMISSION SPECTROSCOPY; OPTICAL PROPERTIES; SUBSTITUTION REACTIONS;

ALKYNES; EXCITED STATES; EXPERIMENTAL ABSORPTION SPECTRA; THEORETICAL ABSORPTION SPECTRA;

ORGANIC COMPOUNDS;

EID: 0141904961     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10663     Document Type: Article

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