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Number of Publications

10 Number of Publications

Role of cationic size in the optical properties of the LiCl crystal surface: theoretical study

2012
Abstract

Spin Quenching of Mn in Complexes and CO Binding with Mn Deposited on MgO and CaO Supports: DFT Calculations

2012
Abstract

Metallophthalocyanine and Metallophthalocyanine–fullerene complexes as potential dye sensitizers for solar cells DFT and TD-DFT calculations

2012
Abstract

Spin transition energies of Cr in complexes and CO binding with Cr deposited on S2− and Se2− anion impurities of MgO (001) surface density functional theory calculations

2012
Abstract

Magnetic and binding properties of Co-doped single-walled carbon nanotubes: a first principles study

2012
Abstract

PEDOTs–PCnBMs polymer–fullereneBHJsolarcells: Quantum mechanicalcalculationsofphotovoltaic and photophysicalproperties

2012
Abstract

Spin Quenching of Transition Metals Deposited on MgO Insulator and CdO Semiconductor Density Functional Calculations

2011
Abstract

CO adsorption on Pd atoms deposited on MgO, CaO, SrO and BaO surfaces: density functional calculations

2008
Abstract

The role of oxidation states in FA1 Tln+ (n = 1,3) lasers and CO interactions at the (100) surface of NaCl: An ab initio study

2008
Abstract

Cl2 adsorption on supported alkali metals and on the MgO and CaO (001) supports: A DFT study

2008
Abstract