Phase-Transferable Force Field for Alkali Halides

2018 ◽  
Vol 14 (11) ◽  
pp. 5933-5948 ◽  
Author(s):  
Marie-Madeleine Walz ◽  
Mohammad M. Ghahremanpour ◽  
Paul J. van Maaren ◽  
David van der Spoel
Keyword(s):  
Force Field ◽  
Alkali Halides ◽  
Transferable Force Field

Transferable Force Field for Carbon Dioxide Adsorption in Zeolites

2009 ◽  
Vol 113 (20) ◽  
pp. 8814-8820 ◽  
Author(s):  
Almudena García-Sánchez ◽  
Conchi O. Ania ◽  
José B. Parra ◽  
David Dubbeldam ◽  
Thijs J. H. Vlugt ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Force Field ◽  
Carbon Dioxide Adsorption ◽  
Transferable Force Field

scholarly journals A Kirkwood-Buff Derived Force Field for Aqueous Alkali Halides

2011 ◽  
Vol 7 (5) ◽  
pp. 1369-1380 ◽  
Author(s):  
Moon Bae Gee ◽  
Nicholas R. Cox ◽  
Yuanfang Jiao ◽  
Nikolaos Bentenitis ◽  
Samantha Weerasinghe ◽  
...  
Keyword(s):  
Force Field ◽  
Alkali Halides ◽  
Aqueous Alkali

scholarly journals A transferable force field for CdS-CdSe-PbS-PbSe solid systems

2014 ◽  
Vol 141 (24) ◽  
pp. 244503 ◽  
Author(s):  
Zhaochuan Fan ◽  
Rik S. Koster ◽  
Shuaiwei Wang ◽  
Changming Fang ◽  
Anil O. Yalcin ◽  
...  
Keyword(s):  
Force Field ◽  
Transferable Force Field

Transferable Force Field for Equilibrium and Transport Properties in Linear, Branched, and Bifunctional Amines I. Primary Amines

2011 ◽  
Vol 115 (49) ◽  
pp. 14617-14625 ◽  
Author(s):  
Gustavo A. Orozco ◽  
Carlos Nieto-Draghi ◽  
Allan D. Mackie ◽  
Véronique Lachet
Keyword(s):  
Force Field ◽  
Transport Properties ◽  
Primary Amines ◽  
Transferable Force Field
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