Publisher
Springer Berlin Heidelberg
Reference26 articles.
1. Bartolotti LJ, Flurchick K (1996) An introduction to density functional theory. In: Lipkowitz KB, Boyd DB (eds) Reviews in computational chemistry, vol 7. VCH, New York
2. Becke AD (1995) Exchange-correlation approximations in density functional theory. In: Yarkony DR (ed) Modern electronic structure theory, vol 2. World Scientific, Singapore, pp 1022–1046
3. Bour P, Kubelka J, Keiderling TA (2000) Simulations of oligopeptide vibrational circular dichroism. Effects of isotopic labeling. Biopolymers 53:380–395
4. Choi JH, Cho M (2009) Computational linear and non-linear IR spectroscopy of amide I vibrations in proteins. In: Barth A, Haris PI (eds) Biological and biomedical infrared spectroscopy, vol 2. IOS Press, Amsterdam, pp 224–260
5. Colvin ME, Cramer CJ, Dykstra CE, Jensen JH, Krimm S, Rivail J-L, Thakkar AJ, Yanez M (2006) Molecular quantum mechanics to biodynamics: essential connections. J Mol Struct Theochem 764:1–8