Molecular Structure and Properties in Silico
by
Joseph J W McDouall, Jonathan Hirst, Carmay Lim
Language: English
Release Date: November 9, 2015
Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry...