| A theoretical model for the active site of nitrogenase KK Stavrev, MC Zerner Chemistry–A European Journal 2 (1), 83-87, 1996 | 83 | 1996 |
| Outer-sphere charge-transfer effects on the spectroscopy of the [Ru (NH3) 5 (py)] 2+ Complex KK Stavrev, MC Zerner, TJ Meyer Journal of the American Chemical Society 117 (33), 8684-8685, 1995 | 74 | 1995 |
| Studies on the hydrogenation steps of the nitrogen molecule at the Azotobacter vinelandii nitrogenase site KK Stavrev, MC Zerner International journal of quantum chemistry 70 (6), 1159-1168, 1998 | 55 | 1998 |
| On the reduced and oxidized forms of the FeMo-cofactor of Azotobacter vinelandii nitrogenase KK Stavrev, MC Zerner Theoretical Chemistry Accounts 96, 141-145, 1997 | 38 | 1997 |
| Spin‐averaged Hartree–Fock procedure for spectroscopic calculations: The absorption spectrum of Mn2+ in ZnS crystals KK Stavrev, MC Zerner International journal of quantum chemistry 65 (5), 877-884, 1997 | 33 | 1997 |
| A theoretical treatment of the absorption and emission properties of Cu (II) porphyrin K Stavrev, MC Zerner Chemical physics letters 233 (1-2), 179-184, 1995 | 33 | 1995 |
| An examination of the electronic structure and spectroscopy of high‐and low‐spin model ferredoxin via several SCF and CI techniques MG Cory, KK Stavrev, MC Zerner International journal of quantum chemistry 63 (3), 781-795, 1997 | 25 | 1997 |
| On the Jahn–Teller effect on Mn2+ in zinc‐blende ZnS crystal KK Stavrev, MC Zerner The Journal of chemical physics 102 (1), 34-38, 1995 | 17 | 1995 |
| Semiempirical assignment of the electron transitions in manganese (II)-doped II–VI compounds K Stavrev, K Kynev, GS Nikolov, VA Dvakovitch Journal of Physics and Chemistry of Solids 48 (9), 841-844, 1987 | 15 | 1987 |
| Theoretical study of the Jahn-Teller effect on the spectroscopy of VCl4 KK Stavrev, MC Zerner Chemical physics letters 263 (5), 667-670, 1996 | 14 | 1996 |
| Comparison of theoretical models of solvation KK Stavrev, T Tamm, MC Zerner International journal of quantum chemistry 60 (7), 1585-1594, 1996 | 10 | 1996 |
| Geometry optimization of Zn1− xMnxS structures by SCF CNDO and INDO methods KK Stavrev, KD Kynev, GS Nikolov Journal of crystal growth 101 (1-4), 376-378, 1990 | 8 | 1990 |
| Using theoretical descriptors to model solvent effects in the isomerization of cis‐stilbene RA McGill, JK Rice, AP Baronavski, JC Owrutsky, AH Lowrey, KK Stavrev, ... International journal of quantum chemistry 60 (7), 1595-1606, 1996 | 6 | 1996 |
| Absorption and ionization spectra of model rubredoxins KK Stavrev, MC Zerner International Journal of Quantum Chemistry 56 (S22), 155-159, 1995 | 6 | 1995 |
| Theoretical study of Mn2+ clustering in Zn1− xMnxS and Zn1− xMnxSe KK Stavrev, SI Ivanov, KD Kynev, GS Nikolov Journal of Solid State Chemistry 86 (1), 136-140, 1990 | 6 | 1990 |
| Excited states of ZnS:Mn and ZnSe:Mn stabilized by the Jahn–Teller active E mode: Calculations by semiempirical self‐consistent field methods KK Stavrev, KD Kynev, G St. Nikolov, M Breza The Journal of chemical physics 92 (5), 3018-3020, 1990 | 5 | 1990 |
| Theoretical study on the electronic structure and properties of synthetic MoFe3S3 compounds* KK Stavrev, S Urahata, T Herz, J Han, D Coucouvanis International Journal of Quantum Chemistry 85 (4‐5), 469-474, 2001 | 4 | 2001 |
| A Theoretical Study of the [Fe2 (μ–S2)(P (o–C6H4S) 3) 2] 2–Electronic Spectrum MG Cory, KK Stavrev, MC Zerner Advances in quantum chemistry 35, 357-369, 1999 | 3 | 1999 |
| Comment on ‘‘Cubic zero-field splitting and site symmetry of in ZnS’’ KK Stavrev, GS Nikolov Physical Review B 47 (1), 542, 1993 | 3 | 1993 |
| Force field calculations for nearest neighbor transition metal ion pairs in cubic ZnS KK Stavrev, GS Nikolov, SI Ivanov Journal of Physics and Chemistry of Solids 53 (8), 1139-1141, 1992 | 3 | 1992 |
