CARTESIUS: a group function based toolkit for hybrid molecular modelling
نویسندگان
چکیده
منابع مشابه
CARTESIUS: a group function based toolkit for hybrid molecular modelling
Modern methods of quantum chemistry have achieved significant successes. Nevertheless, modeling of certain classes of compounds remains problematic. The main complications are both high computational complexity of these methods and the lack of a unique way to determine the ground state with correct asymptotic properties for complex systems. One of the possible solutions is development of the hy...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2010
ISSN: 1758-2946
DOI: 10.1186/1758-2946-2-s1-p13