Browsing by Subject "all-electron"
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Sulfamerazine: understanding the influence of slip planes in the polymorphic phase transformation through x-ray crystallographic studies andab initiolattice dynamics
(American Chemical Society (ACS), 2015-10-05)Understanding the polymorphism exhibited by organic active-pharmaceutical ingredients (APIs), in particular the relationships between crystal structure and the thermodynamics of polymorph stability, is vital for the ...