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Search for publications relevant for "Ab-initio výpočty"
Ab-initio výpočty
Publication
Class
Person
Publication
Programmes
publication
Ab-initio calculation of electronic structure of partially inverted manganese ferrite
2010 |
Faculty of Mathematics and Physics
publication
Magnetic properties of PrRhIn5--Experimental study and ab initio calculations
2008 |
Faculty of Mathematics and Physics
publication
Nitramine Anion Fragmentation: A Mass Spectrometric and Ab Initio Study
2007 |
Publication without faculty affiliation
publication
Ab initio calculations of transport properties of epitaxial (Ga,Mn)As systems
2007 |
Faculty of Mathematics and Physics
publication
Ab initio calculation of interatomic decay rates of excited doubly ionized states in clusters (Article No. 244102)
2008 |
Faculty of Mathematics and Physics
publication
Vibrational spectroscopic studies and ab initio calculations of a substituted amide of pyrazine-2-carboxylic acid - C12H10ClN3O
2008 |
Central Library of Charles University
publication
An interaction of ellipticine derivatives with DNA base pairs (ab initio calculations versus empirical potentials)
2003 |
Faculty of Science
publication
Efficient pi-electron conjugated push-pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study
2009 |
Faculty of Science
publication
Ferrocene-modified purines as potential electrochemical markers: Synthesis, crystal structures, electrochemistry and cytostatic activity of (ferrocenylethynyl)- and (ferrocenylethyl)purines
2004 |
Central Library of Charles University, Faculty of Science
publication
Out-of-plane spin-transfer torques: First-principles study
2010 |
Faculty of Mathematics and Physics
publication
Computer modeling of biomolecules
2011 |
Faculty of Mathematics and Physics
publication
Bonding at the organic/metal interface: Adenine to Cu(110) (Art. No. 155432)
2009 |
Faculty of Mathematics and Physics
publication
Dependence of interatomic decay widths on the symmetry of the decaying state: Analytical expressions and ab initio results
2010 |
Faculty of Mathematics and Physics
publication
Multireference CI calculation of nuclear quadrupole coupling constants of CN+ and CN-: rovibrational dependence
2002 |
Faculty of Science
publication
Intra-atomic charge re-organization at the Pb-Si interface: Bonding mechanism at low coverage
2009 |
Faculty of Mathematics and Physics