E-mail

E-mail a Wiley Online Library Link

Mojtaba Alipour and Afshan Mohajeri Assessing the performance of density functional theory for the dynamic polarizabilities of amino acids: Treatment of correlation and role of exact exchange International Journal of Quantum Chemistry 113

Article first published online: 12 FEB 2013 | DOI: 10.1002/qua.24406

Thumbnail image of graphical abstract

The performance of density functional theory methods is evaluated in predicting dynamic polarizabilities of an experimental benchmark set of proteinogenic amino acids. The results of this investigation might provide the useful guidance to propose new exchange-correlation functionals for calculating the optical properties of biomolecular materials.

Complete the form below and we will send an e-mail message containing a link to the selected article on your behalf

Required = Required Field

SEARCH