The Critical Role of Anharmonic Lattice Dynamics for Macroscopic Properties of the Visible Light Absorbing Nitride Semiconductor CuTaN2 [PDF]
Franziska Simone Hegner +13 more
openalex +1 more source
Strong crystalline thermal insulation induced by extended antibonding states. [PDF]
Cheng R +6 more
europepmc +1 more source
Two-dimensional infrared spectroscopy as a tool to reveal the vibrational and molecular structure of [FeFe] hydrogenases. [PDF]
Bernitzky CCM +11 more
europepmc +1 more source
Comprehensive Oxidation Mechanism of <i>n</i>-Butylamine and 2-Butylamine by H and OH Radicals: Insights into Reactivity. [PDF]
Nascimento JL, Alves TV, Shang Y.
europepmc +1 more source
Lattice distortion leads to glassy thermal transport in crystalline Cs<sub>3</sub>Bi<sub>2</sub>I<sub>6</sub>Cl<sub>3</sub>. [PDF]
Zeng Z +7 more
europepmc +1 more source
Machine Learning for Thermal Transport and Phonon High-order Anharmonicity in High Thermal Conductivity Materials: A Case Study in Boron Arsenide. [PDF]
Dai L, Li M, Hu Y.
europepmc +1 more source
Simulating Molecular Single Vibronic Level Fluorescence Spectra with Ab Initio Hagedorn Wavepacket Dynamics. [PDF]
Zhang ZT, Vaníček JJL.
europepmc +1 more source

