Publications

Export 3 results:
Filters: Author is Adri CT Van Duin  [Clear All Filters]
A B C D E F G H I J K L M N O P Q R S T U V W X Y Z 
H
Manzano H, Pellenq RJean-Marc, Ulm F-J, Buehler MJ, Van Duin ACT.  2012.  Hydration of calcium oxide surface predicted by reactive force field molecular dynamics. Langmuir. 28(9):4187–4197.
F
Atmani L, Bichara C, Pellenq RJean-Marc, Van Damme H, Van Duin ACT, Raza Z, Truflandier LA, Obliger A, Kralert PG, Ulm F-J et al..  2017.  From cellulose to kerogen: molecular simulation of a geological process. Chemical Science. 8(12):8325-8335.
C
Manzano H, Moeini S, Marinelli F, Van Duin ACT, Ulm F-J, Pellenq RJean-Marc.  2012.  Confined water dissociation in microporous defective silicates: Mechanism, dipole distribution, and impact on substrate properties. Journal of the American Chemical Society. 134(4):2208–2215.