Gordana Pirc

Car–Parrinello Simulation of the Vibrational Spectrum of a Medium Strong Hydrogen Bond by Two-Dimensional Quantization of the Nuclear Motion: Application to 2-Hydroxy-5-nitrobenzamide

Mateusz Z. Brela, Jernej Stare, Gordana Pirc et al. · The Journal of Physical Chemistry B · 2012 · 55 citations · Full text

Engineering, Computational Chemistry, Chemistry +16

Car–Parrinello simulation of hydrogen bond dynamics in sodium hydrogen bissulfate

Gordana Pirc, Jernej Stare, Janez Mavri · The Journal of Chemical Physics · 2010 · 35 citations

Program package for numerical solving time-independent Schrödinger equation for vibrational problems: Inclusion of coordinate dependent reduced masses

Gordana Pirc, Janez Mavri, Jernej Stare · Vibrational Spectroscopy · 2011 · 20 citations

Numerical Analysis, Reduced Order Modeling, Coordinate Dependent +9

Diverse coordination of two ligands in ferromagnetic [Cu(μ-HCO2)2(3-pyOH)]n and [Cu2(μ-HCO2)2(μ-3-pyOH)2(3-pyOH)2(HCO2)2]n

Bojan Kozlevčar, L. Glazar, Gordana Pirc et al. · Polyhedron · 2006 · 13 citations

Magnetism, Inorganic Chemistry, Engineering +8

Virtually Nonexistent Correlation between the OH Stretching Frequency and the Instantaneous Geometry in the Short Hydrogen Bond of Sodium Hydrogen Bis(sulfate): Advanced Chemometrics Analysis

Gordana Pirc, Janez Mavri, Marjana Novič et al. · The Journal of Physical Chemistry B · 2012 · 10 citations

Engineering, Computational Chemistry, Chemistry +17