Analyzing the Behavior of Spin Phases in External Magnetic Fields by Means of Spin-Constrained States.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c00953
Abstract: During molecular dissociation in the presence of an external uniform magnetic field, electrons flip their spin antiparallel to the magnetic field because of the stabilizing influence of the spin Zeeman operator. Although generalized Hartree-Fock descriptions… read more here.
Keywords: behavior spin; analyzing behavior; constrained states; spin ... See more keywords
Compressional behavior and spin state of δ-(Al,Fe)OOH at high pressures
Sign Up to like & getrecommendations! Published in 2019 at "American Mineralogist"
DOI: 10.2138/am-2019-6913
Abstract: Abstract Hydrogen transport from the surface to the deep interior and distribution in the mantle are important in the evolution and dynamics of the Earth. An aluminum oxy-hydroxide, δ-AlOOH, might influence hydrogen transport in the… read more here.
Keywords: transition; compressional behavior; spin; behavior spin ... See more keywords