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  1. 1141
    por Rauch, H
    Publicado 1991
    “…Neutron Interferometry tests of Quantum Mechanics…”
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    Symposium on quantum physics in memory of John Stewart Bell: Neutron interferometry tests of quantum mechanics
  2. 1142
    por Jackiw, Roman W
    Publicado 1991
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    Symposium on quantum physics in memory of John Stewart Bell: The breaking of classical symmetries by quantum mechanics
  3. 1143
    por Schrör, B
    Publicado 2003
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    Pascual Jordan, his contribution to quantum mechanics and his legacy in contemporary local quantum physics
  4. 1144
    por Pauli, Wolfgang
    Publicado 2004
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    Pauli Manuscript Collection: Continuous groups in quantum mechanics, 4) The Four-dimensional Rotation Group
  5. 1145
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    The Reaction Mechanism of Loganic Acid Methyltransferase: A Molecular Dynamics Simulation and Quantum Mechanics Study
  6. 1146
    por Stearn, Allen E.
    Publicado 1935
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    THE APPLICATION OF QUANTUM MECHANICS TO CERTAIN CASES OF HOMOGENEOUS CATALYSIS : II. CERTAIN ASPECTS OF ENZYME ACTION
  7. 1147
    “…We have used combined quantum mechanics/molecular mechanics (QM/MM) umbrella sampling molecular dynamics (MD) simulations (at the AM1/CHARMM22 level) and high-level ab initio (SCS-MP2) QM/MM calculations to analyze the reactions, and determinants of selectivity, for two substrates: trans-stilbene oxide (t-SO) and trans-diphenylpropene oxide (t-DPPO). …”
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    Determinants of Reactivity and Selectivity in Soluble Epoxide Hydrolase from Quantum Mechanics/Molecular Mechanics Modeling
  8. 1148
    “…Using a combination of classical molecular mechanics and quantum mechanical calculations, this report assesses the receptor subtype selectivity for the human retinoid X receptor (hRXR) and retinoic acid receptor (hRAR) ligand‐binding domains (LBDs) complexed with retinoid ligands. …”
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    Identifying the receptor subtype selectivity of retinoid X and retinoic acid receptors via quantum mechanics
  9. 1149
    “…The force field is derived from energies predicted from quantum mechanics. The procedure is easily transferable to other MOFs. …”
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    Polarizable Force Field for CO(2) in M-MOF-74 Derived from Quantum Mechanics
  10. 1150
    “…The paper argues that far from challenging—or even refuting—Bohm’s quantum theory, the no-hidden-variables theorems in fact support the Bohmian ontology for quantum mechanics. The reason is that (i) all measurements come down to position measurements; and (ii) Bohm’s theory provides a clear and coherent explanation of the measurement outcome statistics based on an ontology of particle positions, a law for their evolution and a probability measure linked with that law. …”
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    Observables and Unobservables in Quantum Mechanics: How the No-Hidden-Variables Theorems Support the Bohmian Particle Ontology
  11. 1151
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    Augmenting zero-Kelvin quantum mechanics with machine learning for the prediction of chemical reactions at high temperatures
  12. 1152
    por Dall’Osto, Giulia, Corni, Stefano
    Publicado 2022
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    Time Resolved Raman Scattering of Molecules: A Quantum Mechanics Approach with Stochastic Schroedinger Equation
  13. 1153
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    Atoms in strong magnetic fields: quantum mechanical treatment and applications in astrophysics and quantum chaos
  14. 1154
    “…BACKGROUND: Quantum mechanical calculations were performed on a variety of uranium species representing U(VI), U(V), U(IV), U-carbonates, U-phosphates, U-oxalates, U-catecholates, U-phosphodiesters, U-phosphorylated N-acetyl-glucosamine (NAG), and U-2-Keto-3-doxyoctanoate (KDO) with explicit solvation by H(2)O molecules. …”
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    Quantum mechanical calculation of aqueuous uranium complexes: carbonate, phosphate, organic and biomolecular species
  15. 1155
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    A more realistic quantum mechanical model of conscious perception during binocular rivalry
  16. 1156
    “…A new strategy called explicit polarization (X-Pol) has been developed to construct the potential energy surface and wave functions for macromolecular and liquid-phase simulations on the basis of quantum mechanics rather than only using quantum mechanical results to fit analytic force fields. …”
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    Explicit Polarization: A Quantum Mechanical Framework for Developing Next Generation Force Fields
  17. 1157
    “…[Image: see text] A fully quantum mechanical force field (QMFF) based on a modified “divide-and-conquer” (mDC) framework is applied to a series of molecular simulation applications, using a generalized Particle Mesh Ewald method extended to multipolar charge densities. …”
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    Multipolar Ewald Methods, 2: Applications Using a Quantum Mechanical Force Field
  18. 1158
    por Yuan, Jie, Liu, Yun
    Publicado 2011
    “…This paper relates the quantum–mechanical equilibrium isotopic fractionation correction to the radiocarbon dating method by Eq. 9, and also shows the significant influence of temperature on the method. …”
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    Quantum-mechanical equilibrium isotopic fractionation correction to radiocarbon dating: a theory study
  19. 1159
    “…Here we use the quantum mechanical calculation of random alloys to understand the physics for ε-martensitic transformation in steels. …”
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    Quantum-mechanical analysis of effect of alloying elements on ε-martensite start temperature of steels
  20. 1160
    “…Combined quantum mechanical and molecular mechanical (QM/MM) methods are the most powerful available methods for high-level treatments of subsystems of very large systems. …”
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    Parametrization of Combined Quantum Mechanical and Molecular Mechanical Methods: Bond-Tuned Link Atoms †
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