Force-Field Development from Electronic Structure Calculations with Periodic Boundary Conditions: Applications to Gaseous Adsorption and Transport in Metal-Organic Frameworks


Published in:
Journal of Chemical Theory and Computation, 10, 4, 1477-1488
Year:
2014
ISSN:
1549-9618
Note:
Times Cited: 1
Lin, Li-Chiang Lee, Kyuho Gagliardi, Laura Neaton, Jeffrey B. Smit, Berend
1
J CHEM THEORY COMPUT
Laboratories:




 Record created 2014-08-14, last modified 2018-03-17

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