MANUEL
MONTEJO GÁMEZ
TITULAR DE UNIVERSIDAD
Pilar Gema
Rodríguez Ortega
Publications dans lesquelles il/elle collabore avec Pilar Gema Rodríguez Ortega (23)
2022
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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
2021
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Vibrational Circular Dichroism study of chiral food additives: γ-valero- and γ-caprolactone
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 247
2020
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A Mechanism-Based Sphingosine-1-phosphate Lyase Inhibitor
Journal of Organic Chemistry, Vol. 85, Núm. 2, pp. 419-429
2019
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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
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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
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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
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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
2016
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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
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Hyperconjugative and Electrostatic Interactions as Anomeric Triggers in Archetypical 1,4-Dioxane Derivatives
ChemPhysChem, Vol. 17, Núm. 4, pp. 530-540
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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
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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
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DFT-aided vibrational circular dichroism spectroscopy study of (-)-S-cotinine
ChemPhysChem, Vol. 16, Núm. 7, pp. 1416-1427
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Vibrational circular dichroism and theoretical study of the conformational equilibrium in (-)-S-nicotine
ChemPhysChem, Vol. 16, Núm. 2, pp. 342-352
2014
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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
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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
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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
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Quantum chemical study of silanediols as metal binding groups for metalloprotease inhibitors
Journal of Molecular Modeling, Vol. 19, Núm. 4, pp. 1819-1834
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Stabilizing factors of the molecular structure in silicon-based peptidomimetics in gas-phase and water solution. Assessment of the correlation between different descriptors of hydrogen bond strength
Journal of Molecular Modeling
2012
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Dimethylsilanediol: Structure and vibrational spectra by IR and Raman spectroscopies and quantum chemical calculations
Vibrational Spectroscopy, Vol. 58, pp. 79-86
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Molecular structure and vibrational spectra analysis of diethylsilanediol by IR and Raman spectroscopies and DFT calculations
Journal of Sol-Gel Science and Technology, Vol. 64, Núm. 1, pp. 54-66