Accurate Methods for Large Molecular Systems
نویسندگان
چکیده
منابع مشابه
Accurate methods for large molecular systems.
Three exciting new methods that address the accurate prediction of processes and properties of large molecular systems are discussed. The systematic fragmentation method (SFM) and the fragment molecular orbital (FMO) method both decompose a large molecular system (e.g., protein, liquid, zeolite) into small subunits (fragments) in very different ways that are designed to both retain the high acc...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2009
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp811519x