A novel definition of a molecule in a crystal
1997/03/01 by Mark A. Spackman, Patrick G. Byrom, P. G. Byrom · 28 citations
Physics and Astronomy · Chemistry · #Advanced Chemical Physics Studies #Crystallography and molecular interactions #Chemical Thermodynamics and Molecular Structure
paper · doi:10.1016/s0009-2614(97)00100-0
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