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- [1] Parametrized quantum-mechanical approaches combined with the fragment molecular orbital methodJOURNAL OF CHEMICAL PHYSICS, 2022, 157 (23):Fedorov, Dmitri G.
- [2] Reducing the scaling of the fragment molecular orbital method using the multipole methodCHEMICAL PHYSICS LETTERS, 2012, 543 : 159 - 165Choi, Cheol HoFedorov, Dmitri G.
- [3] Effective Fragment Molecular Orbital Method: A Merger of the Effective Fragment Potential and Fragment Molecular Orbital MethodsJOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (33): : 8705 - 8712Steinmann, CasperFedorov, Dmitri G.Jensen, Jan H.
- [4] FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital MethodJOURNAL OF CHEMICAL INFORMATION AND MODELING, 2021, 61 (02) : 777 - 794Takaya, DaisukeWatanabe, ChiduruNagase, ShunpeiKamisaka, KikukoOkiyama, YoshioMoriwaki, HirotomoYuki, HitomiSato, TomohiroKurita, NoriyukiYagi, YoichiroTakagi, TatsuyaKawashita, NorihitoTakaba, KenichiroOzawa, TomonagaTakimoto-Kamimura, MidoriTanaka, ShigenoriFukuzawa, KaoriHonma, Teruki
- [5] Simulations of Raman Spectra Using the Fragment Molecular Orbital MethodJOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 10 (09) : 3689 - 3698Nakata, HiroyaFedorov, Dmitri G.Yokojima, SatoshiKitaura, KazuoNakamura, Shinichiro
- [6] Extending the power of quantum chemistry to large systems with the fragment molecular orbital methodJOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (30): : 6904 - 6914Fedorov, Dmitri G.Kitaura, Kazuo
- [7] Highly accurate fragment molecular orbital/quantum Monte Carlo method for large molecular systemsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251Pruitt, SpencerBenali, AnouarFedorov, Dmitri
- [8] Definition of molecular orbitals in fragment molecular orbital methodCHEMICAL PHYSICS LETTERS, 2002, 364 (1-2) : 139 - 143Inadomi, YNakano, TKitaura, KNagashima, U
- [9] Large-Scale Quantum-Mechanical Molecular Dynamics Simulations Using Density-Functional Tight-Binding Combined with the Fragment Molecular Orbital MethodJOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2015, 6 (24): : 5034 - 5039Nishimoto, YoshioNakata, HiroyaFedorov, Dmitri G.Irle, Stephan
- [10] Polarization energies in the fragment molecular orbital methodJOURNAL OF COMPUTATIONAL CHEMISTRY, 2022, 43 (16) : 1094 - 1103Fedorov, Dmitri G.