“…When a symmetry-breaking phase of matter is suppressed to a quantum critical point (QCP) at absolute zero, quantum-mechanical fluctuations proliferate. Such fluctuations can lead to unconventional superconductivity, as evidenced by the superconducting domes often found near magnetic QCPs in correlated materials. …”
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“…It also showed the lowest active transport across BBB according to the results of P‐glycoprotein (P‐gp) interacting activity evaluation and the highest cytoprotective effect on HeLa cells. Quantum mechanical calculations and dockings gave insights on the most probable conformation of the aryloxyalkyl bioisostere of To042 in solution and the target residues involved in the binding, respectively. …”
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“…The compounds 1 and 2 were fully characterized by NMR, mass spectrometry, and X‐ray crystallographic analysis. The quantum mechanical calculations reveal that compounds 1 and 2 have dicoordinated monovalent N atoms having two active lone pairs of electrons. …”
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“…Here we investigate proton transfer and induced structural changes along the H-bond network in heliorhodopsin using a quantum mechanical/molecular mechanical approach and molecular dynamics simulations. …”
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“…In this approach, the quantum mechanical effects and diffuse scattering of electrons at the oxide–silicon interface are considered, and the slope of the trap potential determined by the gate voltage relation is assumed to decrease proportionally with temperature as a result of the electron distribution inside the top silicon, per the technology computer-aided design (TCAD) simulations. …”
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“…Molecular dynamics simulations and quantum mechanical calculations were performed to identify the residues involved in the formation and stabilization of the enzyme/substrate complex and to explain the use of different substrates by this enzyme. …”
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“…We show that among all possible sources of a given physical length, $N$ is maximized by the black hole and coincides with its entropy. The emerging quantum mechanical picture of a black hole is surprisingly simple and fully parameterized by $N$. …”
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“…Topics addressed include atom optics, slow, stored and stationary light, optical tests of the foundation of physics, quantum mechanical properties of light fields carrying orbital angular momentum, quantum communication, and Wave-Particle dualism in action.…”
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“…Finally, with the extension of SUSY GUTs to string theory, a quantum-mechanically consistent unification of the four known forces (including gravity) is obtained. …”
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“…These models describe interactions between bose fields and quantum mechanical matters. A ground state is defined as the eigenvector associated with the bottom of the spectrum of a self-adjoint operator describing the Hamiltonian of a model. …”
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“…We proceed with a fractal supersymmetric quantum mechanical (SUSY-QM) model implementing the Hilbert-Polya proposal to prove the RH by postulating a Hermitian operator that reproduces all the $\lambda_n$ for its spectrum. …”
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“…The outcomes of this study provide quantum-mechanical insight into the fundamental properties of tin iodide solution complexes. …”
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“…Quantum-dot cellular automata (QCA) are a promising nanoscale computing technology that exploits the quantum mechanical tunneling of electrons between quantum dots in a cell and electrostatic interaction between dots in neighboring cells. …”
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“…The SM8 quantum mechanical aqueous continuum solvation model is applied to a 17-molecule test set proposed by Nicholls et al. …”
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“…Both classes of experiments can be used to probe the quantum mechanical nature of photosynthetic light-harvesting: peak shift experiments allow quantification of correlated energetic fluctuations between pigments, while 2D techniques measure quantum beating directly, both of which indicate the extent of quantum coherence over multiple pigment sites in the protein complex. …”
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“…We have used quantum refinement of the crystal structure and combined quantum mechanical and molecular mechanical calculations to explore possible coordination modes and their influences on cluster properties. …”
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“…I outline the current and new theory that conjectures a mechanism for signal transduction based on quantum mechanical phenomena, dubbed the ‘swipe card’, which is perhaps controversial but feasible. …”
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“…Their high mechanical flexibility, stability, and quality coupled with potentially inexpensive production methods offer potential advantages compared to organic and crystalline bulk semiconductors. Due to quantum mechanical confinement, the band gap in monolayer MoS(2) is direct in nature, leading to a strong interaction with light that can be exploited for building phototransistors and ultrasensitive photodetectors. …”
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“…Here, we investigate the mechanisms of diisopropylfluorophosphate (DFP) and (S)-sarin hydrolysis by DFPase with quantum mechanical/molecular mechanical umbrella sampling simulations. …”
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“…In G proteins and other enzymes, interactions with O(3β) have been understood in terms of electrostatic favoring of the transition state. Ground state quantum mechanical calculations on model compounds show that the active site interactions highlighted in our database analysis can affect substrate phosphate charge and bond length, in ways that are consistent with prior experimental observations, by modulating hyperconjugative orbital interactions that weaken the scissile bond. …”
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