Andrei Tchougreeff
Andrei Tchougreeff
Institute of Inorganic Chemistry, RWTH - Aachen University/Frumkin Institute of RAS
Verified email at ac.rwth-aachen.de - Homepage
Title
Cited by
Cited by
Year
Crystal orbital Hamilton population (COHP) analysis as projected from plane-wave basis sets
VL Deringer, AL Tchougréeff, R Dronskowski
The journal of physical chemistry A 115 (21), 5461-5466, 2011
6272011
Analytic projection from plane‐wave and PAW wavefunctions and application to chemical‐bonding analysis in solids
S Maintz, VL Deringer, AL Tchougréeff, R Dronskowski
Journal of computational chemistry 34 (29), 2557-2567, 2013
5472013
LOBSTER: A tool to extract chemical bonding from plane‐wave based DFT
S Maintz, VL Deringer, AL Tchougréeff, R Dronskowski
Journal of computational chemistry 37 (11), 1030-1035, 2016
4982016
Charge and spin density waves in the electronic structure of graphite: application to analysis of STM images
AL Tchougreeff, R Hoffmann
The Journal of Physical Chemistry 96 (22), 8993-8998, 1992
711992
Electronic structure and optical spectra of transition metal complexes by the effective Hamiltonian method
AV Soudackov, AL Tchougréeff, IA Misurkin
Theoretica chimica acta 83 (5-6), 389-416, 1992
691992
Hydrogen‐Bond Networks in Water Clusters (H2O) 20: An Exhaustive Quantum‐Chemical Analysis
AM Tokmachev, AL Tchougréeff, R Dronskowski
ChemPhysChem 11 (2), 384-388, 2010
642010
Ground‐state multiplicities and d—d excitations of transition‐metal complexes by effective Hamiltonian method
AV Soudackov, AL Tchougréeff, IA Misurkin
International journal of quantum chemistry 58 (2), 161-173, 1996
461996
Nephelauxetic effect revisited
AL Tchougréeff, R Dronskowski
International Journal of Quantum Chemistry 109 (11), 2606-2621, 2009
342009
Semiempirical implementation of strictly localized geminals for analysis of molecular electronic structure
AM Tokmachev, AL Tchougréeff
Journal of Computational Chemistry 22 (7), 752-764, 2001
342001
High-spin-low-spin transitions in Fe (II) complexes by effective Hamiltonian method
AL Tchougréeff, AV Soudackov, IA Misurkin, H Bolvin, O Kahn
Chemical physics 193 (1-2), 19-26, 1995
341995
Fast NDDO method for molecular structure calculations based on strictly localized geminals
AM Tokmachev, AL Tchougréeff
33*
Unconventional magnetism in a nitrogen-containing analog of cupric oxide
A Zorko, P Jeglič, A Potočnik, D Arčon, A Balčytis, Z Jagličić, X Liu, ...
Physical review letters 107 (4), 047208, 2011
302011
Crystal‐field splittings and optical spectra of transition‐metal mixed‐ligand complexes by effective Hamiltonian method
AV Soudackov, AL Tchougréeff, IA Misurkin
International journal of quantum chemistry 57 (4), 663-671, 1996
301996
Group functions, Löwdin partition, and hybrid QC/MM methods for large molecular systems
AL Tchougréeff
Physical Chemistry Chemical Physics 1 (6), 1051-1060, 1999
291999
Intra-atomic exchange and ferromagnetic interaction in metallocene-based donor-acceptor stacked crystals
AL Tchougreeff, IA Misurkin
Physical Review B 46 (9), 5357, 1992
261992
Hybrid Methods of Molecular Modeling
AL Tchougréeff
Springer, 2008
252008
Heisenberg Hamiltonian for charge‐transfer organometallic ferromagnets
AL Tchougreeff
The Journal of chemical physics 96 (8), 6026-6032, 1992
241992
Local effective crystal field combined with molecular mechanics. Improved QM/MM junction and application to Fe (II) and Co (II) complexes
MB Darkhovskii, AL Tchougréeff
The Journal of Physical Chemistry A 108 (30), 6351-6364, 2004
222004
Расчёты электроной структуры октаэдрических гексааква- и гексаамминокомплексов металлов первого переходного рядя методом эффективного гамильтониана
AV Soudackov, AL Tchougréeff, IA Misurkin
Ж. Физ. Хим. 68, 1256-1264, 1994
22*1994
Toward a theory of the room-temperature organometallic charge-transfer ferromagnet
AL Tchougreeff, R Hoffmann
The Journal of Physical Chemistry 97 (2), 350-356, 1993
221993
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Articles 1–20