Petia Bobadova‐Parvanova

Parameter Calibration of Transition-Metal Elements for the Spin-Polarized Self-Consistent-Charge Density-Functional Tight-Binding (DFTB) Method:  Sc, Ti, Fe, Co, and Ni

Guishan Zheng, Henryk A. Witek, Petia Bobadova‐Parvanova et al. · Journal of Chemical Theory and Computation · 2007 · 239 citations · Full text

Engineering, Bond Energies, Magnetic Resonance +17

Molecular Electrostatic Potential as Reactivity Index in Hydrogen Bonding:  Ab Initio Molecular Orbital Study of Complexes of Nitrile and Carbonyl Compounds with Hydrogen Fluoride

Boris Galabov, Petia Bobadova‐Parvanova · The Journal of Physical Chemistry A · 1999 · 113 citations

Carbonyl Oxygen, Natural Sciences, Chemical Bond +12

Structure, bonding, and magnetism in manganese clusters

Petia Bobadova‐Parvanova, Koblar Alan Jackson, Sudha Srinivas et al. · The Journal of Chemical Physics · 2004 · 90 citations

Magnetic Properties, Engineering, Magnetic Resonance +19

Spectroscopic, computational modeling and cytotoxicity of a series of meso-phenyl and meso-thienyl-BODIPYs

Jaime H. Gibbs, Larry T. Robins, Zehua Zhou et al. · Bioorganic & Medicinal Chemistry · 2013 · 80 citations · Full text

Engineering, Physicochemical Analysis, Organic Chemistry +7

Scanning the potential energy surface of iron clusters: A novel search strategy

Petia Bobadova‐Parvanova, Koblar Alan Jackson, Sudha Srinivas et al. · The Journal of Chemical Physics · 2002 · 80 citations

Magnetic Properties, Engineering, Potential Energy Surface +24