Concepedia

Development of the four-body corrected fragment molecular orbital (FMO4) method

Tatsuya Nakano, Yuji Mochizuki, Katsumi Yamashita, Chiduru Watanabe, Kaori Fukuzawa, Katsunori Segawa, Yoshio Okiyama, Takayuki Tsukamoto, Shigenori Tanaka

Chemical Physics Letters · 2011 · 64 citations · 47 references

DOI

Concepts

References

47

Fragment molecular orbital method: an approximate computational method for large molecules

Kazuo Kitaura, Eiji Ikeo, Toshio Asada et al. · Chemical Physics Letters · 1999 · 1.4K citations

, , +10

Direct calculation of electron density in density-functional theory

Weitao Yang · Physical Review Letters · 1991 · 1.1K citations

, , +17

An effective fragment method for modeling solvent effects in quantum mechanical calculations

Paul N. Day, Jan H. Jensen, Mark S. Gordon et al. · The Journal of Chemical Physics · 1996 · 601 citations

, , +17

Molecular fractionation with conjugate caps for full quantum mechanical calculation of protein–molecule interaction energy

Dawei Zhang, J. Z. H. Zhang · The Journal of Chemical Physics · 2003 · 579 citations

, , +17

Extending the Power of Quantum Chemistry to Large Systems with the Fragment Molecular Orbital Method

Dmitri G. Fedorov, Kazuo Kitaura · The Journal of Physical Chemistry A · 2007 · 566 citations

, , +17