Force Field Validation for Molecular Dynamics Simulations of IRMOF-1 and Other Isoreticular Zinc Carboxylate Coordination Polymers

By J. Greathouse, M. Allendorf. 2008

138 citations recorded by the source corpus.

Subfields: Inorganic Chemistry, Materials Chemistry, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/f9b5e3af8a5d47e491d0b30f2e9475a0ff3a2fd4