| 1 |
Magneto-optical Response of 3d-Decorated Polyoxomolybdates with epsilon-Keggin Structure
Andreev IV, Tchougreeff AL, Kogerler P, Rai RC
Inorganic Chemistry, 53(6), 2892, 2014 |
| 2 |
Effective Hamiltonian Crystal Field As Applied to Magnetic Exchange Parameters in mu-Oxo-Bridged Cr(III) Dimers
Tchougreeff AL, Dronskowski R
Journal of Physical Chemistry A, 117(33), 7980, 2013 |
| 3 |
d-d Spectra of Transition-Metal Carbodiimides and Hydrocyanamides as Derived from Many-Particle Effective Hamiltonian Calculations
Tchougreeff AL, Dronskowski R
Journal of Physical Chemistry A, 115(17), 4547, 2011 |
| 4 |
Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets
Deringer VL, Tchougreeff AL, Dronskowski R
Journal of Physical Chemistry A, 115(21), 5461, 2011 |
| 5 |
Synthesis, Characterization, and Quantum-Chemical Studies of Ni(CN)(2)MX (M = Rb, Cs; X = Cl, Br)
Liu XH, Speldrich M, Kogerler P, Dronskowski R, Tchougreeff AL
Inorganic Chemistry, 49(16), 7414, 2010 |
| 6 |
Electronic and Magnetic Structure of Transition-Metal Carbodiimides by Means of GGA plus U Theory
Xiang HP, Dronskowski R, Eck B, Tchougreeff AL
Journal of Physical Chemistry A, 114(46), 12345, 2010 |
| 7 |
Multipole Model for the Electron Group Functions Method
Tchougreeff AL, Tokmachev AM, Dronskowski R
Journal of Physical Chemistry A, 113(42), 11406, 2009 |
| 8 |
Efficient multipole model and linear scaling of NDDO-based methods
Tokmachev AM, Tchougreeff AL
Journal of Physical Chemistry A, 109(33), 7613, 2005 |
| 9 |
Local effective crystal field combined with molecular mechanics. Improved QM/MM junction and application to Fe(II) and Co(II) complexes
Darkhovskii MB, Tchougreeff AL
Journal of Physical Chemistry A, 108(30), 6351, 2004 |
| 10 |
Fast NDDO method for molecular structure calculations based on strictly localized geminals
Tokmachev AM, Tchougreeff AL
Journal of Physical Chemistry A, 107(3), 358, 2003 |
