Hristina R. Zhekova

Applications of Time Dependent and Time Independent Density Functional Theory to the First π to π* Transition in Cyanine Dyes

Hristina R. Zhekova, Mykhaylo Krykunov, Jochen Autschbach et al. · Journal of Chemical Theory and Computation · 2014 · 81 citations

Natural Sciences, Chemistry, Physics +14

Cryo-EM structure of the sodium-driven chloride/bicarbonate exchanger NDCBE

Wei‐Guang Wang, Kirill Tsirulnikov, Hristina R. Zhekova et al. · Nature Communications · 2021 · 54 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +14

Magnetic Circular Dichroism of Phthalocyanine (M = Mg, Zn) and Tetraazaporphyrin (M = Mg, Zn, Ni) Metal Complexes. A Computational Study Based on Time-Dependent Density Functional Theory

G. A. Peralta, Michael Seth, Hristina R. Zhekova et al. · Inorganic Chemistry · 2008 · 43 citations

Natural Sciences, Chemistry, Physics +17

Introduction of a New Theory for the Calculation of Magnetic Coupling Based on Spin–Flip Constricted Variational Density Functional Theory. Application to Trinuclear Copper Complexes which Model the Native Intermediate in Multicopper Oxidases

Hristina R. Zhekova, Michel Seth, Tom Ziegler · Journal of Chemical Theory and Computation · 2011 · 43 citations

Natural Sciences, Chemistry, Physics +17

Selective ion binding and transport by membrane proteins – A computational perspective

Hristina R. Zhekova, Van A. Ngo, Maurício Chagas da Silva et al. · Coordination Chemistry Reviews · 2017 · 36 citations

Natural Sciences, Biochemistry, Biophysics +16