Getting started in computational quantum chemistry
نویسندگان
چکیده
منابع مشابه
Getting started in computational quantum chemistry
In the past few decades, computational resources have become more powerful every year and in addition methodology development has led to much more efficient techniques through parallelization of the calculations and the advent of density functional theory. These reasons make it possible for computational quantum chemists to work on relatively large chemical systems with a total number of atoms ...
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ژورنال
عنوان ژورنال: Frontiers in Chemistry
سال: 2013
ISSN: 2296-2646
DOI: 10.3389/fchem.2013.00014