Tomás Peña Ruiz

An effective scaling frequency factor method for scaling of harmonic vibrational frequencies: theory and preliminary application to toluene

A new, reduced set of scaling factors for both SQM and ESFF calculations

An effective scaling frequency factor method for scaling of harmonic vibrational frequencies: Application to toluene, styrene and its 4-methyl derivative

Gas-phase structure, rotational barrier, and vibrational properties of methyl methanethiosulfonate, CH3SO2SCH3: an experimental and computational study.

An effective scaling frequency factor method for harmonic vibrational frequencies: The factors’ transferability problem

Weak hydrogen-, halogen- and stacking π···π bonding in crystalline 5-chloro-1-indanone. An analysis by using X-ray diffraction, vibrational spectroscopy and theoretical methods

Derivatives of benzo[b]furan. Part II. Structural studies of derivatives of 2- and 3-benzo[b]furancarboxylic acids

Derivatives of benzo[b]furan. Part I. Conformational studies of khellinone and visnaginone

Application of the multi-parameter SQM harmonic force field, and ESFF harmonic frequencies scaling procedures to the determination of the vibrational spectra of silicon- and sulfur(II)-containing compounds.

Molecular structure, conformational preferences and vibrational analysis of 2-hydroxystyrene: A computational and spectroscopic research