Exploring Network Topologies of Copper Paddle Wheel Based Metal–Organic Frameworks with a First-Principles Derived Force Field

2011 ◽  
Vol 115 (31) ◽  
pp. 15133-15139 ◽  
Author(s):  
Saeed Amirjalayer ◽  
Maxim Tafipolsky ◽  
Rochus Schmid
Keyword(s):  
Force Field ◽  
First Principles ◽  
Metal Organic Frameworks ◽  
Paddle Wheel ◽  
Network Topologies ◽  
Metal Organic

First-Principles-Derived Force Field for Copper Paddle-Wheel-Based Metal−Organic Frameworks

2010 ◽  
Vol 114 (34) ◽  
pp. 14402-14409 ◽  
Author(s):  
Maxim Tafipolsky ◽  
Saeed Amirjalayer ◽  
Rochus Schmid
Keyword(s):  
Force Field ◽  
First Principles ◽  
Metal Organic Frameworks ◽  
Paddle Wheel ◽  
Metal Organic

MOF-FF - A flexible first-principles derived force field for metal-organic frameworks

2013 ◽  
Vol 250 (6) ◽  
pp. 1128-1141 ◽  
Author(s):  
Sareeya Bureekaew ◽  
Saeed Amirjalayer ◽  
Maxim Tafipolsky ◽  
Christian Spickermann ◽  
Tapta Kanchan Roy ◽  
...  
Keyword(s):  
Force Field ◽  
First Principles ◽  
Metal Organic Frameworks ◽  
Metal Organic

New Zn2+ Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols

2012 ◽  
Vol 12 (11) ◽  
pp. 5471-5480 ◽  
Author(s):  
Manolis J. Manos ◽  
Eleni E. Moushi ◽  
Giannis S. Papaefstathiou ◽  
Anastasios J. Tasiopoulos
Keyword(s):  
Metal Organic Frameworks ◽  
Amino Alcohols ◽  
Trimesic Acid ◽  
Network Topologies ◽  
Metal Organic

scholarly journals Extension of the Universal Force Field for Metal–Organic Frameworks

2016 ◽  
Vol 12 (10) ◽  
pp. 5215-5225 ◽  
Author(s):  
Damien E. Coupry ◽  
Matthew A. Addicoat ◽  
Thomas Heine
Keyword(s):  
Force Field ◽  
Metal Organic Frameworks ◽  
Universal Force Field ◽  
Metal Organic
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