15 results on '"Filatov, Michael"'
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2. Bond-path-rigidity and bond-path-flexibility of the ground state and first excited state of fulvene
3. The role of the natural transition orbital density in the S0 → S1 and S0 → S2 transitions of fulvene with next generation QTAIM
4. Next-generation quantum theory of atoms in molecules for the ground and excited state of DHCL
5. QTAIM and stress tensor bond-path framework sets for the ground and excited states of fulvene
6. Isomerization of the RPSB chromophore in the gas phase along the torsional pathways using QTAIM
7. A spin-restricted ensemble-referenced Kohn–Sham method and its application to diradicaloid situations
8. On the binding of carbonyl to a single palladium atom
9. Relativistically corrected geometries obtained with analytical gradients: normalized elimination of the small component using an effective potential
10. On representation of the Hamiltonian matrix elements in relativistic regular approximation
11. A new quasi-relativistic approach for density functional theory based on the normalized elimination of the small component
12. m-Benzyne and bicyclo[3.1.0]hexatriene – which isomer is more stable? – a quantum chemical investigation
13. Artificial symmetry breaking in radicals is avoided by the use of the Ensemble-Referenced Kohn–Sham (REKS) method
14. Tests of a density functional with Laplacian terms: activation barriers and bond-stretching energies
15. Spin-restricted density functional approach to the open-shell problem
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