Modeling the Effect of Defects and Disorder in Amorphous Metal-Organic Frameworks

par Bechis, Irene
Publié dans: Chemistry of materials : a publication of the American Chemical Society (2022)

Stochastic structure determination for conformationally flexible heterogenous molecular clusters application to ionic liquids

par Addicoat, Matthew A
Publié dans: Journal of computational chemistry (2013)

Density functional theory investigation of Cu(I)- and Cu(II)-curcumin complexes

par Addicoat, Matthew A
Publié dans: Journal of computational chemistry (2011)

Kick constraining a stochastic search procedure with molecular fragments

par Addicoat, Matthew A
Publié dans: Journal of computational chemistry (2009)

Associative versus dissociative binding of CO to 4d transition metal trimers A density functional study

par Addicoat, Matthew A
Publié dans: Journal of computational chemistry (2008)