A dynamical method for calculating the near infrared spectra of molecules and macromolecules

Journal of Near Infrared Spectroscopy

Volumn 8, Issue 2, 2000, Pages 133-150

  Wozny, C E ^a   Noid, D W ^b   Sumpter, B G ^b  

^a South Georgia College   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

Anharmonic effects; Frequency estimator; Molecular dynamics; Near infrared spectra; Polymers; Semi classical spectral method

Indexed keywords

EID: 0034390001     PISSN: 09670335     EISSN: None     Source Type: Journal    
DOI: 10.1255/jnirs.273     Document Type: Article

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