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Publications by P. Hejduk

Electronic Structure of Unsaturated V2O5(001) and (100) Surfaces: Ab Initio Density Functional Theory Studies

Topics in Catalysis

English

Related publications

Ab-Initio Density-Functional Lattice-Dynamics Studies of Ice

Canadian Journal of Physics

English

Structures and Energetics of Interfaces in Materials – Ab-Initio Local-Density-Functional Theory –

Microscopy and Microanalysis

Instrumentation

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Ab Initio Calculations for SrTiO3 (100) Surface Structure

AIP Conference Proceedings

English

Molecular Structure and Vibrational Analysis of 1-Bromo-2-Chlorobenzene Using Ab Initio HF and Density Functional Theory (B3LYP) Calculations

Journal of Atomic, Molecular, and Optical Physics

English

Combining Ab Initio and Density Functional Theories With Semiempirical Methods

Journal of Chemical Physics

Theoretical Chemistry

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Electronic Structure and Magnetic Properties of Ce5CuPb3Based on Ab Initio Calculations

Acta Physica Polonica A

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Electronic and Magnetic Structure ofLaMnO3from Hybrid Periodic Density-Functional Theory

Physical Review B

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Mechanism of Formation of Biocidal Imidazolidin-4-One Derivatives: An Ab Initio Density-Functional Theory Study

English

Density Functional Theory Study of Water Adsorption on the CoO (100) and CoO (110) Surfaces

International Journal of Integrated Engineering

Mechanics of Materials

Electronic Engineering

Mechanical Engineering

Materials Science

Manufacturing Engineering

Structural Engineering

English