Calculated ionization energies for a series of sesquiterpenes: Comparisons with experimental vertical ionization energies and comments on related structure-activity relationships (SARs)

Structural Chemistry

Volumn 20, Issue 3, 2009, Pages 417-421

  Nauduri, Dhananjaya ^a   Greenberg, Arthur ^b  

^a University of Texas Medical Branch School of Medicine   (United States)

^b University of New Hampshire   (United States)

Author keywords

Density function theory (DFT); Secondary organic aerosol (SOA); Sesquiterpenes; Structure activity relationship (SAR); Vertical ionization potential (IP v)

Indexed keywords

EID: 67349132696     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-009-9431-2     Document Type: Article

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