Periodic density functional theory calculations of bulk and the (010) surface of goethite

Por Sparks Donald L, Paul Kristian W, Kubicki James D
Publicado em 2008-05-01

Periodic density functional theory calculations of bulk and the (010) surface of goethite

Por Kubicki, James D, Paul, Kristian W, Sparks, Donald L
Publicado em 2008

Cellulose Structural Polymorphism in Plant Primary Cell Walls Investigated by High-Field 2D Solid-State NMR Spectroscopy and Density Functional Theory Calculations

Por Wang, Tuo, Yang, Hui, Kubicki, James D., Hong, Mei
Publicado no Biomacromolecules (2016)

Density functional theory modeling of chromate adsorption onto ferrihydrite nanoparticles

Por Kubicki, James D., Kabengi, Nadine, Chrysochoou, Maria, Bompoti, Nefeli
Publicado no Geochem Trans (2018)

Quantum mechanical calculation of aqueuous uranium complexes: carbonate, phosphate, organic and biomolecular species

Por Kubicki, James D, Halada, Gary P, Jha, Prashant, Phillips, Brian L
Publicado em 2009

Tertiary model of a plant cellulose synthase

Por Sethaphong, Latsavongsakda, Haigler, Candace H., Kubicki, James D., Zimmer, Jochen, Bonetta, Dario, DeBolt, Seth, Yingling, Yaroslava G.
Publicado em 2013