| 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 | 2030 | 2011 |
| 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 | 2028 | 2016 |
| 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 | 1314 | 2013 |
| 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 | 82 | 2010 |
| 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 | 78 | 1992 |
| Electronic structure and optical spectra of transition metal complexes by the effective Hamiltonian method AV Soudackov, AL Tchougréeff, IA Misurkin Theoretica chimica acta 83, 389-416, 1992 | 74 | 1992 |
| Nephelauxetic effect revisited AL Tchougréeff, R Dronskowski International Journal of Quantum Chemistry 109 (11), 2606-2621, 2009 | 64 | 2009 |
| 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 | 47 | 1996 |
| 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 | 38 | 2001 |
| Relative stability of diamond and graphite as seen through bonds and hybridizations IV Popov, AL Görne, AL Tchougréeff, R Dronskowski Physical Chemistry Chemical Physics 21 (21), 10961-10969, 2019 | 37 | 2019 |
| Hybrid Methods of Molecular Modeling AL Tchougréeff Springer, 2008 | 36 | 2008 |
| 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 | 35 | 2011 |
| 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 | 35 | 1995 |
| Fast NDDO method for molecular structure calculations based on strictly localized geminals AM Tokmachev, AL Tchougréeff | 35* | |
| Group functions, Löwdin partition, and hybrid QC/MM methods for large molecular systems AL Tchougréeff Physical Chemistry Chemical Physics 1 (6), 1051-1060, 1999 | 31 | 1999 |
| 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 | 31 | 1996 |
| Experimental and Quantum‐Chemical Investigations of the UV/Vis Absorption Spectrum of Manganese Carbodiimide, MnNCN X Liu, R Dronskowski, R Glaum, AL Tchougréeff Zeitschrift für anorganische und allgemeine Chemie 636 (2), 343-348, 2010 | 27 | 2010 |
| Intra-atomic exchange and ferromagnetic interaction in metallocene-based donor-acceptor stacked crystals AL Tchougreeff, IA Misurkin Physical Review B 46 (9), 5357, 1992 | 26 | 1992 |
| 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 | 25 | 2004 |
| Heisenberg Hamiltonian for charge‐transfer organometallic ferromagnets AL Tchougreeff The Journal of chemical physics 96 (8), 6026-6032, 1992 | 24 | 1992 |
Richard DronskowskiDistinguished Professor, Chair of Solid-State and Quantum Chemistry, RWTH Aachen UniversityVerified email at HAL9000.ac.rwth-aachen.de
