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161by Daniel Mungo Brasil“... originated from classical mechanics, a method called molecular mechanics, or from quantum mechanics, ab...”
Published 2023
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162by Daniel Mungo Brasil“... originated from classical mechanics, a method called molecular mechanics, or from quantum mechanics, ab...”
Published 2023
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163by Daniel Mungo Brasil“... originated from classical mechanics, a method called molecular mechanics, or from quantum mechanics, ab...”
Published 2023
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164by Daniel Mungo Brasil“... originated from classical mechanics, a method called molecular mechanics, or from quantum mechanics, ab...”
Published 2023
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165by Daniel Mungo Brasil“... originated from classical mechanics, a method called molecular mechanics, or from quantum mechanics, ab...”
Published 2023
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166by Daniel Mungo Brasil“... originated from classical mechanics, a method called molecular mechanics, or from quantum mechanics, ab...”
Published 2023
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167by Daniel Mungo Brasil“... originated from classical mechanics, a method called molecular mechanics, or from quantum mechanics, ab...”
Published 2023
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168by Daniel Mungo Brasil“... originated from classical mechanics, a method called molecular mechanics, or from quantum mechanics, ab...”
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169by Daniel Mungo Brasil“... originated from classical mechanics, a method called molecular mechanics, or from quantum mechanics, ab...”
Published 2023
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170by Neese, Frank, Wennmohs, Frank, Becker, Ute, Riplinger, Christoph“... as well as a complete intrinsic to ORCA quantum mechanics/molecular mechanics engine. A specialty of ORCA...”
Published in The Journal of Chemical Physics (2020)
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171by Yan, Ke-Feng, Chen, Hao, Chen, Zhao-Yang, Li, Xiao-Sen, Xu, Chun-Gang, Zhang, Yu, Xia, Zhi-Ming, Yu, Yi-Song“... dynamics (MD) simulation and quantum mechanics calculation. The interactions between the host and guest...”
Published in Energy & Fuels (2021)
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172by Yan, Ke-Feng, Chen, Hao, Chen, Zhao-Yang, Li, Xiao-Sen, Xu, Chun-Gang, Zhang, Yu, Xia, Zhi-Ming, Yu, Yi-Song“... dynamics (MD) simulation and quantum mechanics calculation. The interactions between the host and guest...”
Published in Energy & Fuels (2021)
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173by Galmés, Miquel À., Nödling, Alexander R., Luk, Louis, Świderek, Katarzyna, Moliner, Vicent“... (CALB). The study, combining multiscale quantum mechanics/molecular mechanics (QM/MM) simulations, deep...”
Published in ACS Catalysis (2021)
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174by Hinrik Hólmfríðarson Ólason 1990-“...., philosophy, quantum mechanics, history, ecofeminism and archeomythology. In doing so a picture is drawn of a...”
Published 2021
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175by Riplinger, Christoph“... for quantum mechanics/molecular mechanics (QM/MM) calculations with the program packages ORCA and GROMACS...”
Published 2011
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176
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177by Miquel À. Galmés (11054246), Alexander R. Nödling (4731036), Louis Luk (4048540), Katarzyna Świderek (1473364), Vicent Moliner (1303953)“..., combining multiscale quantum mechanics/molecular mechanics (QM/MM) simulations, deep machine learning...”
Published 2021
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178by Gemmell, Michael“... altering the behaviour of the particle. According to a common interpretation of quantum mechanics, sub...”
Published 2000
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179
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180by Miquel A. Galmés (11112830), Katarzyna Świderek (1473364), Vicent Moliner (1303953)“... to traditional synthetic methods. In the present paper, a hybrid quantum mechanics/molecular mechanics (QM/MM...”
Published 2021
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