Interested

• dft
• hydrogen bond
• organic chemistry
• ir
• intramolecular hydrogen bond
• x ray
• materials chemistry
• hydrogen bonds
• density functional theory
• chemical physics

Scientific discipline

• chemical sciences

Latest publications

• Nucleophilic substitution of hydrogen atom in initially inactivated pyrrole ring.
• Comparison of Proton Acceptor and Proton Donor Properties of H₂O and H₂O₂ in Organic Crystals of Drug-Like Compounds: Peroxosolvates vs. Crystallohydrates
• Renewed spectroscopic and theoretical research of hydrogen bonding in ascorbic acid
• Combination of "Buttressing" and "Clothespin" effects for reaching the shortest NHN hydrogen bond in proton sponge cations.
• Inter- vs. Intra-Molecular Hydrogen Bond in Complexes of Nitrophthalic Acids with Pyridine
• H/D isotope effects on ¹H-NMR chemical Shifts in cyclic heterodimers and heterotrimers of phosphinic and phosphoric acids.
• Modeling biologically important NH···π interactions using peri-disubstituted naphthalenes.
• Neutral pyrrole nitrogen atom as a π- and mixed n,π-donor in hydrogen bonding.
• Spectroscopic identification of hydrogen bond vibrations and quasi-isostructural polymorphism in N-salicylideneaniline.
• Inter- vs. intramolecular hydrogen bond patterns and proton dynamics in nitrophthalic acid associates.
• Polymorphism and conformational equilibrium of nitro-acetophenone in solid state and under matrix conditions.
• UV Laser-Induced Phototransformations of Matrix-Isolated 5-Chloro-3-nitro-2-hydroxyacetophenone
• Intramolecular hydrogen bonds in selected aromatic compounds: recent developments.
• Molecular dynamics and density functional theory studies of conformational stability of bilirubin and biliverdin
• How strong is hydrogen bonding to amide nitrogen?
• The photoinactivation of pathogenic bacteria using synthesized benzodioxole-BODIPY dyes
• Symmetry/asymmetry of the NHN hydrogen bond in protonated 1,8-bis(dimethylamino)naphthalene.
• Arylene-ethynylene oligomers based on the proton sponge.
• Magnetic properties of nickel-titanium alloy during martensitic transformations under plastic and elastic deformation.
• Synthesis, structural, spectroscopic, computational and cytotoxic studies of BODIPY dyes.