Academics

BS Chemistry 1980; PhD in Chemistry 1988, University of Sofia, Bulgaria

Assistant-Professor of Chemistry, University of Sofia, Bulgaria 1988-1992

Post-Doctoral Fellowship, Scuola Normale Superiore, Pisa, Italy 1992-1993

Post-Doctoral Fellowship, University of Florida, Gainesville, FL 1993-1997

Assistant-Director, College of Medicine, University of Florida, 1998-2003

Associations

American Chemical Society 1993

Research

Computational chemistry approaches to transition-metal impurity centers in crystals and coordination compounds. Mechanisms of biological nitrogen fixation.

Lectures

1995 "Theoretical Approaches to Nitrogen Fixation", 24th SETCA Conference, Tulane University, New Orleans, LA

1996 "On the Role of Iron-Sulfur Clusters in the Mo-Fe Protein of Nitrogenase", 212th Natl Meeting, American Chemical Society, Orlando, FL

1997 "Theoretical Approaches to Nitrogen Fixation", UNC Symposium on Biochemistry Structure & Function, Wilmington, NC

2000 "Theoretical Approaches to Nitrogen Fixation", Department of Chemistry, University of Michigan, Ann Arbor, MI

Seminars

1994 "Theoretical Approaches to Nitrogen Fixation: the Spin-State Problem", Quantum Theory Project, University of Florida, Gainesville, FL

1997 "Theoretical Approaches to Nitrogen Fixation: Current Developments", Quantum Theory Project, University of Florida, Gainesville, FL

Sanibels

1994 "Theoretical Study of Interstitial Hydrogen in Si and Si-C Alloys", Ponte Vedra Beach, FL

1995 "Absorption and Ionization Spectra of Model Rubredoxins", St. Augustine, FL

1996 "Theoretical Study of the Structure and Spectroscopy of Fe/S Proteins", St. Augustine, FL

1997 "Spin Averaged Hartree-Fock Procedure for Spectroscopic Calculations", St. Augustine, FL

1998 "Theoretical Studies on the Biological Nitrogen Fixation", St. Augustine, FL

1999 "Genetic Algorithms: Applications in Chemistry and Medicine", St. Augustine, FL

2001 "Theoretical Studies on Synthetic MoFe3S3 Compounds", St. Augustine, FL

Conferences

1988 2nd International Conference on Luminescence, Greifswald, East Germany

1989 4th International Conference on II-VI Compounds, Technical University, West Berlin

1990 7th Annual Conference on Solid State Physics, Intl. Ctr. Theoretical Physics, Trieste, Italy

1991 1st General Physics Conference, Balkan Physics Union, Thessaloníki, Greece

1995 4th Conference on Current Trends in Computational Chemistry, Vicksburg, MS

1996 212th National Meeting, American Chemical Society, Orlando, FL

1996 2nd International Congress of Theoretical Chemical Physics, New Orleans, LA

1998 215th National Meeting, American Chemical Society, Dallas, TX

Publications

K.K. Stavrev and K.D. Kynev: "Effect of the Second Coordination Sphere on the Electron Transition Energies in ZnS:Mn", Monatsh. Chem. 115 (1984) 1393
K.K. Stavrev, G.St. Nikolov and K.D. Kynev: "Orbital Energies for Manganese(II) in Trigonal Fields of C3v Symmetry", Phys. Status Solidi B 128 (1985) K69
K.K. Stavrev, K.D. Kynev, G.St. Nikolov and Vl. A. Dyakovitch, "Semiempirical Assignment of the Electron Transitions in Mn(II)-Doped II-VI Compounds", J. Phys. Chem. Solids 48 (1987) 841
K.K. Stavrev, K.D. Kynev and G.St. Nikolov: "Band Assignment in the ZnSe:Mn Electron Spectrum by the Angular Overlap Model", Compt. rend. Acad. bulg. sci. 40 (1987) 69
K.K. Stavrev, K.D. Kynev and G.St. Nikolov: "Semiempirical Analysis of the Electronic Spectra of Transition Metal Ions in II-VI Compounds", Proc. 2nd Int. Conf. Lum., p129, Greifswald, Germany (1988)
K.K. Stavrev, K. Kynev and G.St. Nikolov: "Vibronic Spectra Analysis of Transition-Metal Ion Impurity Centers in II-VI Compounds", J. Solid State Chem. 74 (1988) 314
K.K. Stavrev, K.D. Kynev and G.St. Nikolov: "Jahn-Teller Stabilization Energies for ZnS:Mn and ZnSe:Mn Excited States Obtained by the Angular Overlap Model", J. Chem. Phys. 88 (1988) 7027
K.K. Stavrev, K.D. Kynev, G.St. Nikolov and M. Breza: "Excited States of ZnS:Mn and ZnSe:Mn Stabilized by the Jahn-Teller Active E-mode: Calculations by Semiempirical Self Consistent Field Methods", J. Chem. Phys. 92 (1990) 3018
K.K. Stavrev, K.D. Kynev and G.St. Nikolov: "Geometry Optimization of Zn1-xMnxS Structures by SCF CNDO and INDO Methods", J. Crystal Growth 101 (1990) 376
K.K. Stavrev, K.D. Kynev and G.St. Nikolov: "SCF-INDO Force Field Calculations for Tetrahedral MS4 and MSe4 Clusters", J. Phys. Chem. Solids 51 (1990) 475
K.K. Stavrev, S.I. Ivanov, K.D. Kynev and G.St. Nikolov: "Theoretical Study of Mn2+ Clustering in Zn1-xMnxS and Zn1-xMnxSe", J. Solid State Chem. 86 (1990) 136
K.K. Stavrev and K.D. Kynev: "Location of Mn2+ Ions in Calcium Apatites: Calculations by SCF CNDO and INDO Methods", Compt. rend. Acad.bulg. sci. 43 (1990) 47
K.K. Stavrev, S.I. Ivanov and G.St. Nikolov: "A Theoretical Study of Interstitial Transition Metal Impurities in II-VI Compounds", J. Phys. Chem. 95 (1991) 5326
M. Sigalas, C.A. Tsipis, K.K. Stavrev, S. Ivanov and G.S. Nikolov: "EHMO and SCF-INDO Quantum Chemical Interpretation of the Magnetic Properties of Di-mu-Chloro Dicopper (II) Complexes", Proc. 1st General Conf. Balkan Phys. Union, vol.2, p.820, Thessaloniki, Greece (1991)
K.K. Stavrev, S.I. Ivanov, K.D. Kynev and G.St. Nikolov: "Clustering of Mn2+ ions in Zn1-xMnxS and Zn1-xMnxSe: A Theoretical study", Proc. 1st General Conf. Balkan Phys. Union, vol.2, p.832, Thessaloniki, Greece (1991)
K.K. Stavrev, G.St. Nikolov and S.I. Ivanov: "Force Field Calculations for Nearest Neighbor Transition Metal Ion Pairs in Cubic ZnS", J. Phys. Chem. Solids 53 (1992) 1139
K.D. Kynev, K.K. Stavrev, L. Grigorov, K. Dragomirova and S.I. Ivanov, "Electronic Structure of Lanthanide Ions in ZnO: Theoretical Study by Relativistically Parameterized Extended Huckel Method", Compt. rend. Acad. bulg. sci. 45 (1992) 49
K.K. Stavrev, "MNDO Versus PM3 Force Field Calculations", QCPE Bulletin, Indiana University 12 (1992) 59
K.K. Stavrev and G.St. Nikolov, Comment on "Cubic Zero-Field Splitting and Symmetry of Mn2+ in ZnS", Phys. Rev. B 47 (1993) 542
R. Colle and K.K. Stavrev, "Interstitial Hydrogen in Silicon: A Theoretical Study", J. Non-Cryst. Solids 164-166 (1993) 293
R. Colle and K. Stavrev, "Structural Properties and Chemical Ordering in Hydrogenated Silicon-Carbon Alloys", J. Solid St. Chem. 117 (1995) 427
K.K. Stavrev and M.C. Zerner, "On the Jahn-Teller Effect on Mn2+ in Zinc-blend ZnS Crystal", J. Chem. Phys. 102 (1995) 34
K.K. Stavrev and M.C. Zerner, "A Theoretical Treatment of the Absorption and Emission Properties of Cu(II) Porphyrin", Chem. Phys. Lett. 233 (1995) 179
K.K. Stavrev and M.C. Zerner, "Absorption and Ionization Spectra of Model Rubredoxins", Int. J. Quantum Chem.: Quantum Biol. Series 22 (1995) 15
K.K. Stavrev, M.C. Zerner, T.J. Meyer "Outer Sphere Charge-Transfer Effects on the Spectroscopy of [Ru(NH3)5(py)]2+ Complex", J. Am. Chem. Soc. 117 (1995) 8684
K.K. Stavrev and M.C. Zerner, "A Theoretical Model for the Active Site of Nitrogenase", Angew. Chem.(35/1): Chem. Res. J. 2 (1996) 83
K.K. Stavrev, T. Tamm and M.C. Zerner, "Comparison of Various Solvation Models", Int. J. Quant. Chem. 60 (1996) 373
R. Andrew McGill, J. Rice, Owrutsky, Baranowski, A. Lowrey, K.K. Stavrev, T. Tamm and M. Zerner, "A TLSER Study of the Isomerization of cis-Stilbene", Int. J. Quant. Chem. 60 (1996) 383
K.K. Stavrev and M.C. Zerner, "Theoretical Study of the Jahn-Teller Effect on the Spectroscopy of VCl4", Chem. Phys. Lett. 263 (1996) 667
M.G. Cory, K.K. Stavrev and M.C. Zerner "An Examination of the Electronic Structure and Spectroscopy of High- and Low-Spin Model Ferredoxin via Several SCF and CI Techniques", Int. J. Quant. Chem. 63 (1997) 781
K.K. Stavrev and M.C. Zerner, "On the Reduced and Oxidized Forms of the FeMo-cofactor of Azotobacter vinelandii Nitrogenase", Theor. Chim. Acta 96 (1997) 141
K.K. Stavrev and M.C. Zerner, "Spin Averaged Hartree-Fock Procedure for Spectroscopic Calculations: The Absorption Spectrum of Mn2+ in ZnS Crystals", Int. J. Quant. Chem. 65 (1997) 877
K.K. Stavrev and M.C. Zerner, "Studies on the Hydrogenation Steps of the Nitrogen Molecule at the Azotobacter vinelandii Nitrogenase Site", Int. J. Quant. Chem, 70 (1998) 1159
M.G. Cory, K.K. Stavrev and M.C. Zerner, "The electronic spectrum of Fe2(mu-S) (S-CH3)4", Adv. Quant. Chem. 35 (1999) 357
K.K. Stavrev, S. Urahata, T. Herz, J. Han and D. Coucouvanis, "Theoretical Studies on Synthetic MoFe3S3 Compounds”, Int. J. Quant. Chem. 85 (2001) 469