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First‐Principles Quantum Calculations on the Infrared Spectrum and Vibrational Dynamics of the Guanine‐Cytosine Base Pair
Author(s) -
Yagi Kiyoshi,
Karasawa Hideyuki,
Hirata So,
Hirao Kimihiko
Publication year - 2009
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200900234
Subject(s) - intermolecular force , infrared , vibrational energy relaxation , infrared spectroscopy , chemistry , guanine , relaxation (psychology) , femtosecond , molecular physics , two dimensional infrared spectroscopy , resonance (particle physics) , cytosine , atomic physics , physics , optics , molecule , dna , laser , nucleotide , psychology , social psychology , biochemistry , organic chemistry , gene
Vibrational resonance plays a vital role in manifesting a broad infrared band (>300 cm −1 ) and ultrafast vibrational energy relaxation (<100 femtoseconds) of the intermolecular NH stretching vibrations (see spectra).