Tomás Peña Ruiz | Researchain

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Featured researches published by Tomás Peña Ruiz.

Chemical Physics Letters | 2007

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

Piotr Borowski; Manuel Fernández-Gómez; M.P. Fernández-Liencres; Tomás Peña Ruiz

Vibrational Spectroscopy | 2010

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

Piotr Borowski; Aleksandra Drzewiecka; Manuel Fernández-Gómez; Maria Paz Fernández-Liencres; Tomás Peña Ruiz

Journal of Molecular Structure | 2009

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

Piotr Borowski; Manuel Fernández-Gómez; M.P. Fernández-Liencres; Tomás Peña Ruiz; Manuel Quesada Rincón

Journal of Physical Chemistry A | 2007

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

M.E. Tuttolomondo; Amparo Navarro; Tomás Peña Ruiz; E.L. Varetti; Stuart A. Hayes; Derek A. Wann; Heather E. Robertson; David W. H. Rankin; Aida Ben Altabef

Chemical Physics Letters | 2008

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

Piotr Borowski; Aleksandra Drzewiecka; Manuel Fernández-Gómez; Maria Paz Fernández-Liencres; Tomás Peña Ruiz

Chemical Physics | 2006

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

Tomás Peña Ruiz; Manuel Fernandez Gomez; Juan Jesús López González; Anna E. Koziol

Structural Chemistry | 2012

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

Aleksandra Drzewiecka; Anna E. Koziol; Tomás Peña Ruiz; Manuel Fernandez Gomez; Marta Struga; Jerzy Kossakowski; Kinga Ostrowska; Tadeusz Lis

Structural Chemistry | 2012

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

Tomás Peña Ruiz; Aleksandra Drzewiecka; Anna E. Koziol; Manuel Fernandez Gomez; Kinga Ostrowska; Marta Struga; Jerzy Kossakowski

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2012

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.

Piotr Borowski; Tomás Peña Ruiz; Mariusz Barczak; Karol Pilorz; Sylwia Pasieczna-Patkowska

Chemical Physics | 2010

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

Gregorio García; Amparo Navarro; José M. Granadino-Roldán; Andrés Garzón; Tomás Peña Ruiz; Maria Paz Fernández-Liencres; Manuel Melguizo; Antonio Peñas; Gábor Pongor; János Eőri; Manuel Fernández-Gómez

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