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- [21] Multipole Moments in the Effective Fragment Potential MethodJOURNAL OF PHYSICAL CHEMISTRY A, 2017, 121 (09): : 2056 - 2067Bertoni, ColleenSlipchenko, Lyudmila V.Misquitta, Alston J.Gordon, Mark S.
- [22] Effective fragment potential method extended to proteinsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 244Laurent, Adele D.Krylov, Anna I.
- [23] Damping functions in the effective fragment potential methodMOLECULAR PHYSICS, 2009, 107 (8-12) : 999 - 1016Slipchenko, Lyudmila V.Gordon, Mark S.
- [24] 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.
- [25] QM/MM boundaries across covalent bonds: A frozen LMO-based approach for the effective fragment potential method.ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1999, 218 : U519 - U519Jensen, JHKairys, V
- [26] Analytic energy gradients of the optimized effective potential methodJOURNAL OF CHEMICAL PHYSICS, 2005, 123 (13):Wu, QCohen, AJYang, WT
- [27] A combined effective fragment potential-fragment molecular orbital method. II. Analytic gradient and application to the geometry optimization of solvated tetraglycine and chignolinJOURNAL OF CHEMICAL PHYSICS, 2011, 134 (03):Nagata, TakeshiFedorov, Dmitri G.Sawada, ToshihikoKitaura, KazuoGordon, Mark S.
- [28] Charge transfer interaction in the effective fragment potential methodJOURNAL OF CHEMICAL PHYSICS, 2006, 124 (21):Li, HuiGordon, Mark S.Jensen, Jan H.
- [29] BioEFP: Effective fragment potential method for biological systemsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 249Slipchenko, Lyudmila
- [30] Effective fragment potential method: From clusters to the bulkABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 230 : U3617 - U3618Gordon, Mark S.