Publicacións nas que colabora con Pilar Gema Rodríguez Ortega (26)

2022

  1. Fourier Transform Infrared Spectroscopy and Vibrational Circular Dichroism Assisted Elucidation of the Solution-State Supramolecular Speciation in Racemic and Enantiopure Ketoprofen

    Applied Spectroscopy, Vol. 76, Núm. 2, pp. 216-227

  2. Measuring the mass of an electron: an undergraduate laboratory experiment with high resolution mass spectrometry

    Chemistry Teacher International, Vol. 4, Núm. 1, pp. 15-22

2021

  1. Vibrational Circular Dichroism study of chiral food additives: γ-valero- and γ-caprolactone

    Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 247

2020

  1. A Mechanism-Based Sphingosine-1-phosphate Lyase Inhibitor

    Journal of Organic Chemistry, Vol. 85, Núm. 2, pp. 419-429

2019

  1. Anomeric effect in pyranose-ring derivatives containing carbon, silicon, and germanium as anomeric centers: an ab initio systematic study

    Structural Chemistry, Vol. 30, Núm. 6, pp. 2245-2255

  2. Developing Students' Scientific Reasoning Abilities with an Inquiry-Based Learning Methodology: Applying FTIR Spectroscopy to the Study of Thermodynamic Equilibria in Hydrogen-Bonded Species

    Journal of Chemical Education, Vol. 96, Núm. 5, pp. 1022-1028

  3. Study of the Effect of Volume Contraction in Methanol-Water Mixtures Used as Solvents for Analytical Purposes: A Student-Centered Project for Practical Learning

    Journal of Chemical Education, Vol. 96, Núm. 4, pp. 677-684

  4. Studying the Effect of Temperature on the Formation of Hydrogen Bond Dimers: A FTIR and Computational Chemistry Lab for Undergraduate Students

    Journal of Chemical Education, Vol. 96, Núm. 8, pp. 1760-1766

  5. Synthesis and structural characterization of a ubiquitous transformation product (BTS 40348) of Fungicide Prochloraz

    Journal of Agricultural and Food Chemistry, Vol. 67, Núm. 31, pp. 8641-8648

2016

  1. DFT study of the hydrolysis reaction in atranes and ocanes: the influence of transannular bonding

    Journal of Molecular Modeling, Vol. 22, Núm. 1, pp. 1-14

  2. Hyperconjugative and Electrostatic Interactions as Anomeric Triggers in Archetypical 1,4-Dioxane Derivatives

    ChemPhysChem, Vol. 17, Núm. 4, pp. 530-540

  3. Solvent Effects on the Monomer/Hydrogen-Bonded Dimer Equilibrium in Carboxylic Acids: (+)-(S)-Ketopinic Acid as a Case Study

    Chemistry - An Asian Journal, Vol. 11, Núm. 12, pp. 1798-1803

2015

  1. Conformational properties of chiral tobacco alkaloids by DFT calculations and vibrational circular dichroism: (-)-S-anabasine

    Journal of Molecular Graphics and Modelling, Vol. 60, pp. 169-179

  2. DFT-aided vibrational circular dichroism spectroscopy study of (-)-S-cotinine

    ChemPhysChem, Vol. 16, Núm. 7, pp. 1416-1427

  3. Vibrational circular dichroism and theoretical study of the conformational equilibrium in (-)-S-nicotine

    ChemPhysChem, Vol. 16, Núm. 2, pp. 342-352

2014

  1. Interaction models of the Si(OH)2 functionality with Zn 2+ cation in simplified biological environments: A DFT study

    Structural Chemistry, Vol. 25, Núm. 1, pp. 127-138

  2. Study of the chelating properties of Ge(OH)2 functionality as metal binding group for Zn2+ cation in simplified protease-like environments: a DFT analysis

    Journal of Molecular Modeling, Vol. 20, Núm. 9, pp. 1-11

  3. Synthesis and structural study of precursors of novel methylsilanediols by IR and Raman spectroscopies, single-crystal X-ray diffraction and DFT calculations

    Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 118, pp. 828-834

2013

  1. Gem-dioles de Silicio y Germanio de interés biomédico e industrial: caracterización estructural y modelización teórica de su interacción con cationes metálicos

    Gem-dioles de Silicio y Germanio de interés biomédico e industrial: caracterización estructural y modelización teórica de su interacción con cationes metálicos

  2. Quantum chemical study of silanediols as metal binding groups for metalloprotease inhibitors

    Journal of Molecular Modeling, Vol. 19, Núm. 4, pp. 1819-1834