Interested

• spectroscopy
• chemometrics
• physical chemistry
• infrared spectroscopy
• chemical physics
• nir
• nir spectroscopy
• molecular structure
• near infrared
• near infrared nir

Scientific discipline

• chemical sciences

Latest publications

• Effect of elevated temperature and UV radiation on molecular structure of linoleic acid by ATR-IR and two-dimensional correlation spectroscopy.
• IR spectra of crystalline nucleobases : combination of periodic harmonic calculations with anharmonic corrections based on finite models.
• Association and solubility of chlorophenols in CCl4: MIR/NIR spectroscopic and DFT study
• State of water in various environments: Aliphatic ketones. MIR/NIR spectroscopic, dielectric and theoretical studies
• Spectra–structure correlations in isotopomers of ethanol (CX₃CX₂OX; X = H, D): combined near-infrared and anharmonic computational study.
• How much anharmonicity is in vibrational spectra of CH₃I and CD₃I?
• Anharmonicity and spectra–structure correlations in MIR and NIR spectra of crystalline menadione (vitamin K₃).
• Simulated NIR spectra as sensitive markers of the structure and interactions in nucleobases.
• Investigation of phase transitions in liquid crystal 12BBAA using window clustering of infrared spectra.
• Effect of conformational isomerism on NIR spectra of ethanol isotopologues. Spectroscopic and anharmonic DFT study.
• Solvent effect on the competition between weak and strong interactions in phenol solutions studied by near-infrared spectroscopy and DFT calculations.
• Association of 1-hexanol in mixtures with n-hexane : dielectric, near-infrared and DFT studies.
• Overtones of νC≡N vibration as a probe of structure of liquid CH₃CN, CD₃CN, and CCl₃CN : combined infrared, near-infrared, and Raman spectroscopic studies with anharmonic density functional theory calculations.
• Tracking small heterogeneity in binary mixtures of aliphatic and aromatic hydrocarbons : NIR spectroscopic, 2DCOS and MCR-ALS studies.
• Vibrational intensities and anharmonicity in MIR, NIR and Raman spectra of liquid CHCl₃, CDCl₃, CHBr₃ and CDBr₃ :  spectroscopic and theoretical study.
• Solvent Effect on Assembling and Interactions in Solutions of Phenol: Infrared Spectroscopic and Density Functional Theory Study
• Two-dimensional correlation spectroscopy : the power of power spectra.
• ATR-IR study of skin components: lipids, proteins and water. Part I: temperature effect.
• Microheterogeneity in binary mixtures of water with CH₃OH and CD₃OH: ATR-IR spectroscopic, chemometric and DFT studies.
• Spectroscopic and quantum mechanical calculation study of the effect of isotopic substitution on NIR spectra of methanol.