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Magnetic surface enables precise atomic migration at near absolute zero
Adatoms are single atoms that get adsorbed onto the surface of a solid material and are known to hop randomly from one spot ...
C&EN12d
Assignment of the Terahertz Spectra of Crystalline Copper Sulfate and Its Hydrates via Solid-State Density Functional Theory
‡ Centre for Sustainable Heritage, Bartlett School of Graduate Studies, University College London, 14 Upper Woburn Place, London WC1H 0NN, U.K. § TeraView Limited, Platinum Building, St. John’s ...
IEEE28d
Density of State of Low-frequency Intramolecular Vibrations for Stiff and Flexible Molecules at Solid Phase
Abstract: Densities of states (DOS) of intramolecular vibrations in optical phonon modes have been quantitatively studied for three oligoglycines. Polycyclic aromatic chain molecules have been used as ...
C&EN29d
Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection
Whereas the performance of the equation-of-motion coupled-cluster, density functional theory, and multireference methods had been tested along the excited- and ground-state paths of PSB3 in our ...