“…Even though the method is simple, the entropies computed exhibit an extremely high correlation with the entropies previously derived by other methods based on quasi-harmonic motions, quantum mechanics, and molecular dynamics simulations. …”
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“…It is difficult, we conclude, to see in quantum mechanics anything other than a formalism for predicting the likelihoods of the recorded outcomes of actually performed observations.…”
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“…The structure assignment and conformational analysis of the thiosemicarbazones, DKI21 and DKI24, were performed through homonuclear and heteronuclear 2D Nuclear Magnetic Resonance (NMR) spectroscopy (2D-COSY, 2D-NOESY, 2D-ROESY, 2D-HSQC, and 2D-HMBC) and quantum mechanics (QM) calculations, using Functional Density Theory (DFT). …”
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“…[Image: see text] The principle of least action is the cornerstone of classical mechanics, theory of relativity, quantum mechanics, and thermodynamics. Here, we describe how a neural network (NN) learns to find the trajectory for a Lennard-Jones (LJ) system that maintains balance in minimizing the Onsager–Machlup (OM) action and maintaining the energy conservation. …”
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“…Target residues for genetic optimization of the artificial metalloenzyme were identified by quantum mechanics/molecular mechanics simulations. Double-saturation mutagenesis yielded detailed insight on the contribution of individual amino acids on the activity and the selectivity of the artificial metalloenzyme. …”
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“…The density functional theory (DFT) quantum mechanics approach, sufficiently rigorous and efficient for the calculation of electronic structures, is conducted to better comprehend the connection between the redox potential and the atomic structural feature of laccases. …”
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“…We investigated the ATPase domain, a segment of the human DNA topoisomerase IIα, using all-atom molecular simulations, multiscale quantum mechanics/molecular mechanics (QM/MM) calculations, and a point mutation study. …”
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“…In this work, we determined an approximate eigen solutions of Modified multi-parameter exponential potential using supersymmetric quantum mechanics approach (SUSY) with improved Greene-Aldrich approximation to the centrifugal term. …”
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“…For two decades, the formalism of quantum mechanics has been successfully used to describe human decision processes, situations of heuristic reasoning, and the contextuality of concepts and their combinations. …”
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“…Quantum entanglement is a unique phenomenon of quantum mechanics, which has no classical counterpart and gives quantum systems their advantage in computing, communication, sensing, and metrology. …”
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“…Quantum mechanics revolutionized chemists’ understanding of molecular structure. …”
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“…The analogies—but also the non-trivial differences—with respect to the qubit states of standard quantum mechanics are then analyzed.…”
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“…We hypothetically ask whether quantum games inspired by population dynamics can benefit from unique features of quantum mechanics such as entanglement and nonlocality. …”
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“…Whenever possible, we highlight the similarities and differences between biochemical and regulatory networks and 'classical' systems typically studied in non-equilibrium statistical and quantum mechanics.…”
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“…An optical blackbody is an ideal absorber for all incident optical radiation, and the theoretical study of its radiation spectra paved the way for quantum mechanics (Planck’s law). Herein, we propose the concept of an electron blackbody, which is a perfect electron absorber as well as an electron emitter with standard energy spectra at different temperatures. …”
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“…We performed molecular dynamics simulations applying a quantum mechanics/molecular mechanics potential to study the degradation profiles of 30 designed conjugates, where six were predicted to be hydrolyzed by this enzyme. …”
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“…Here, we describe the mechanism of inhibition of an innovative class of compounds that covalently engage the catalytic lysine of EGFR, through a sulfur(VI) fluoride exchange (SuFEx) process, with the help of hybrid quantum mechanics/molecular mechanics (QM/MM) and path collective variables (PCVs) approaches. …”
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“…Designed as a two-volume set, Statistical Plasma Physics is intended for advanced undergraduate and beginning graduate courses on plasma and statistical physics, and as such, its presentation is self-contained and should be read without difficulty by those with backgrounds in classical mechanics, electricity and magnetism, quantum mechanics, and statistics. Major topics include: plasma phenomena in nature, kinetic equations, plasmas and dielectric media, electromagnetic properties of Vlasov plasmas in thermodynamic equilibria, transient processes, and instabilities. …”
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“…The interplay between physics and mathematics which appeared in the 18th century is compared to the development of physics in the 20th century, especially to the development of quantum mechanics between 1900 and 1930. The author aims to show how Euler' work represents a rare example of a simultaneous and harmonic composition of results of different origin and nature which have been joined into a unique and marvellous result.…”
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“…The publication of the paper by Max Planck which gave birth to quantum mechanics as well as those by Einstein, heavily influenced some of the greatest arts movements of the 20th century: the birth of Surrealism led by Marcel Duchamp; Cubism and the paintings by George Braque and Picasso; and Modernism of James Joyce and Paul Celan, But the inspiration works both ways too: Murray Gell-Man chose the word quark out of James Joyce’s Finnegans Wake as the name for the group of particles which form one of the fundamental units of matter. …”
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