Anharmonic and harmonic intermolecular vibrational modes of the DNA base pairs

Journal of Chemical Physics

Volumn 106, Issue 4, 1997, Pages 1472-1479

  Špirko, Vladimír ^a   Šponer, Jiří ^a   Hobza, Pavel ^a  

^a J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000647560     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473296     Document Type: Article

References (23)

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23. We did not use scaling since our aim was to compare harmonic and non-harmonic approaches. We are aware of the fact that scaling removes overestimation of vibrational frequencies (harmonic as well as non-harmonic) originating from the Hartree-Fock description.