Structural chemistry-guided revelation of superior thermally insulative TeI<sub>4</sub>. [PDF]
Bai Q +6 more
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Ab initio electron-lattice downfolding: Potential energy landscapes, anharmonicity, and molecular dynamics in charge density wave materials [PDF]
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Anharmonic double-
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Reliable p<i>K</i><sub>a</sub> Prediction through Efficient Incorporation of Anharmonicity within the Nuclear-Electronic Orbital Framework. [PDF]
Yoo JM +3 more
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Renormalization and low-energy effective models in cavity and circuit quantum electrodynamics. [PDF]
Lamberto D +4 more
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The Importance of Anharmonicity of The Vibrational Excited States in Chemical Kinetics [PDF]
Jan Bron
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Anharmonicity in Thermal Insulators - An Analysis from First Principles
Florian Knoop
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Accelerated discovery of crystalline materials with record ultralow lattice thermal conductivity via a universal descriptor. [PDF]
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