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Is large-scale ab initio Hartree-Fock calculation chemically accurate? Toward improved calculation of biological molecule properties.
Hajime Takashima
Kunihiro Kitamura
Kazutoshi Tanabe
Umpei Nagashima
Published in:
J. Comput. Chem. (1999)
Keyphrases
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molecular biology
calculation method
desirable properties
artificial intelligence
case study
data structure
high accuracy
computationally efficient
high precision
structural properties