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PDF) Ab initio quantum mechanics/molecular mechanics method with periodic boundaries employing Ewald summation technique to electron-charge interaction: Treatment of the surface-dipole term
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PDF] Applications of ab initio quantum chemistry to small organic molecules | Semantic Scholar
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Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference-Potential. 4. Adaptive QM/MM | Physical Chemistry | ChemRxiv | Cambridge Open Engage
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Steel — ab Initio: Quantum Mechanics Guided Design of New Fe-Based Materials | springerprofessional.de
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Ab initio quantum mechanics/molecular mechanics method with periodic boundaries employing Ewald summation technique to electron-charge interaction: Treatment of the surface-dipole term: The Journal of Chemical Physics: Vol 150, No 12
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Reaction Mechanisms in Carbohydrate-Active Enzymes: Glycoside Hydrolases and Glycosyltransferases. Insights from ab Initio Quantum Mechanics/Molecular Mechanics Dynamic Simulations. | Semantic Scholar