papers
Publications (6)
cond-mat.mtrl-sci2011
Interaction of W(CO)$_6$ with SiO$_2$ Surfaces -- A Density Functional Study
Kaliappan Muthukumar, Ingo Opahle, Juan Shen +2
cond-mat.mtrl-sci2012
Simulation of structural and electronic properties of amorphous tungsten oxycarbides
Kaliappan Muthukumar, Roser Valenti, Harald O. Jeschke
cond-mat.str-el2014
Giant pressure-induced volume collapse in the pyrite mineral MnS2
Simon A. J. Kimber, Ashkan Salamat, Shaun R. Evans +8
cond-mat.mtrl-sci2012
Physisorption of an organometallic platinum complex on silica. An ab initio study
Juan Shen, Kaliappan Muthukumar, Harald O. Jeschke +1
cond-mat.mtrl-sci2014
Dynamics of tungsten hexacarbonyl, dicobalt octacarbonyl and their fragments adsorbed on silica surfaces
Kaliappan Muthukumar, Roser Valenti, Harald O. Jeschke
cond-mat.mtrl-sci2012
Spontaneous Dissociation of Co2(CO)8 and Autocatalytic growth of Co on SiO2 : A Combined Experimental and Theoretical Investigation
Kaliappan Muthukumar, Harald O. Jeschke, Roser Valentà +4