Concepedia

Fragment molecular orbital method: application to polypeptides

Tatsuya Nakano, Tsuguchika Kaminuma, Toshiyuki Sato, Yutaka Akiyama, Masami Uebayasi, Kazuo Kitaura

Chemical Physics Letters · 2000 · 381 citations · 7 references

DOI

Concepts

References

7

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

Warren J. Hehre, R. F. Stewart, John A. Pople · The Journal of Chemical Physics · 1969 · 4.2K citations

, , +17

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

Self-Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater-Type Orbitals. Extension to Second-Row Molecules

Warren J. Hehre, R. Ditchfield, R. F. Stewart et al. · The Journal of Chemical Physics · 1970 · 716 citations

, , +17

Pair interaction molecular orbital method: an approximate computational method for molecular interactions

Kazuo Kitaura, Takuya Sawai, Toshio Asada et al. · Chemical Physics Letters · 1999 · 288 citations

, , +9

Linear scaling computation of the Fock matrix

Matt Challacombe, Eric Schwegler · The Journal of Chemical Physics · 1997 · 217 citations

, , +17