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cluster calculations
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Unrestricted Hartree-Fock cluster calculation of electronic and optical properties of delta-doped n-i-p-i semiconductors
2001 |
Faculty of Mathematics and Physics
publication
Exploring Structural Disorders in Aluminum-Containing Metal-Organic Frameworks: Comparison of Solid-State Al-27 NMR Powder Spectra to DFT Calculations on Bulk Periodic Structures
2020 |
Central Library of Charles University, Faculty of Mathematics and Physics
publication
Structure and Stability of the Water-Graphite Complexes
2009 |
Faculty of Science, Central Library of Charles University
publication
Ab initio properties of MgAlk (Alk = Li, Na, K, Rb, Cs)
2012 |
Faculty of Mathematics and Physics
publication
Combined Theoretical and Experimental Investigation of CO Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF
2012 |
Faculty of Science, Central Library of Charles University
publication
Accurate Ab Initio Description of Adsorption on Coordinatively Unsaturated Cu2+ and Fe3+ Sites in MOFs
2015 |
Faculty of Science, Central Library of Charles University