On the Negative Result Experiments in Quantum Mechanics. [PDF]
Entropy (Basel)Konishi K.
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Does Quantum Mechanics Require "Conspiracy"? [PDF]
Entropy (Basel)Stoica OC.
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DFT-CES2: Quantum Mechanics Based Embedding for Mean-Field QM/MM of Solid-Liquid Interfaces. [PDF]
JACS AuJang T +4 more
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Enhancing chemical synthesis planning: automated quantum mechanics-based regioselectivity prediction for C-H activation with directing groups. [PDF]
Beilstein J Org ChemSeumer J, Ree N, Jensen JH.
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Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm. [PDF]
J Chem Theory ComputSchlinsog M +7 more
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Unlocking the chemistry facilitated by enzymes that process nucleic acids using quantum mechanical and combined quantum mechanics-molecular mechanics techniques. [PDF]
Pure Appl ChemNikkel DJ, Wetmore SD.
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MORE-Q, a dataset for molecular olfactorial receptor engineering by quantum mechanics. [PDF]
Sci DataChen L +9 more
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Prediction of enzyme inhibition (IC<sub>50</sub>) using a combination of protein-ligand docking and semiempirical quantum mechanics. [PDF]
J Mol ModelGlen RC, Cole JC, Stewart JJP.
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Unfolding the Photophysical Behavior of Luminescent Polymeric Films Containing β‑Diketonate Tetrakis Eu<sup>III</sup> Complexes via Multilayer Quantum Mechanics. [PDF]
ACS OmegaSaraiva LF +8 more
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Quantum Mechanics-Based Ranking of Predicted Proteolysis Targeting Chimeras-Mediated Ternary Complexes. [PDF]
ACS Med Chem LettMonteleone S +3 more
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