Disentangling the Janus-faced effects of cations in electrocatalysis. [PDF]
Nat CommunZhu X +3 more
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Nuclear first order phase transition associated with Helmholtz free energy of canonical ensemble
, 2012 It was shown that in the canonical ensemble the simple exactly soluble statistical model of nuclei decay into nucleons, which is a limiting case of the statistical multifragmentation model, predicts the nuclear first order phase transition associated with the Helmholtz free energy different from the first order phase transition of the liquid-gas type ...
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Thermodynamically Consistent Enthalpies of Adsorption of Mixtures from Classical Density Functional Theory. [PDF]
J Phys Chem BRehner P.
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A Variational Formulation for Irreversible Thermodynamics with Path Dependence. [PDF]
Entropy (Basel)Ren H.
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Free-energy perturbation in the exchange-correlation space accelerated by machine learning: application to silica polymorphs. [PDF]
NPJ Comput MaterForslund A +3 more
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Ab initio determination of phase stabilities of dynamically disordered solids: rotational C<sub>2</sub> disorder in Li<sub>2</sub>C<sub>2</sub>. [PDF]
Sci RepKlarbring J +3 more
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Assessing Polymorph Stability and Phase Transitions at Finite Temperature: Integrating Crystal Structure Prediction, Lattice Dynamics, and Molecular Dynamics. [PDF]
J Chem Theory ComputCorrea GB +6 more
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ALD-Derived WO<sub>3-<i>x</i></sub> Leads to Nearly Wake-Up-Free Ferroelectric Hf<sub>0.5</sub>Zr<sub>0.5</sub>O<sub>2</sub> at Elevated Temperatures. [PDF]
ACS Appl Electron MaterAfroze N +12 more
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Zero- to ultralow-field J-spectroscopy with a diamond magnetometer. [PDF]
Commun ChemOmar M +10 more
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