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physics.chem-ph2021
Magnetic properties of {M} coordination clusters with different magnetic cores (M=Co, Mn)
Simona Achilli, Claire Besson, Xu He +3
We present a joint experimental and theoretical characterization of the magnetic properties of coordination clusters with an antiferromagnetic core of four magnetic ions. Two diffe…
physics.chem-ph1999★ 10 cited
Density functional calculations of planar DNA base-pairs
Maider Machado, Pablo Ordejon, Emilio Artacho +2
We present a systematic Density Functional Theory (DFT) study of geometries and energies of the nucleic acid DNA bases (guanine, adenine, cytosine and thymine) and 30 different DNA…