Density functional theory : principles, applications and analysis / Joseph Morin and Jean Marie Pelletier, editors.

Includes bibliographical references and index.

Density functional treatment of interactions and chemical reactions at interfaces / José R.B. Gomes, José L.C. Fajín, M. Natália D.S. Cordeiro, Cátia Teixeira, Paula Gomes, Renjith S. Pillai,Gerard Novell-Leruth, Jordi Toda and Miguel Jorge -- Applications of density functional theory calculations to lithium carbenoids and magnesium carbenoids / Tsutomu Kimura -- On the prediction of thermoelectric properties of low-dimensional materials by density functional theory / P. Boulet and M.C. Record -- On the use of DFT computations to the radical scavenging activity studies of natural phenolic compounds / Nikolaos Nenadis and Maria Z. Tsimidou -- Polarizability of C60/C70fullerene [2+1]-and [1+1]-adducts : a DFT-prognosis / Denis Sh. Sabirov -- The application of density functional theory to calculation of properties of environmentally important speciesdi-and trimethylnaphthalenes / Bojana D. Ostojić and Dragana S. Đorđević -- Transport of organic materials from molecules to organic semiconductors / Kenji Hirose -- Modern density functional theory a useful tool for computational chemists / Reinaldo Pis Diez -- Alloy-based design of materials from first principles : an application to functional hard coatings / David Holec, Liangcai Zhou, Richard Rachbauerand Paul H. Mayrhofer -- Energy density functional theory in nuclear physics / Yoritaka Iwata and Joachim A. Maruhn.

Description based on print version record.

eBooks on EBSCOhost EBSCO eBook Subscription Academic Collection - Worldwide