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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.Theoretical study of the mechanisms of the hydrolysis and condensation reactions of silicon and titanium alkoxides: similarities and differences.Theoretical and experimental vibrational spectrum study of 4-hydroxybenzoic acid as monomer and dimer.Synthesis and structural study of precursors of novel methylsilanediols by IR and Raman spectroscopies, single-crystal X-ray diffraction and DFT calculations.Intermolecular charge transfer and hydrogen bonding in solid furan.Role of structures with penta- and hexacoordinate silicon in the nucleophile-catalyzed hydrolysis of tetramethoxysilane.Mechanism of the catalytic activity of nucleophiles in the stepwise hydrolysis and condensation reactions of tetramethoxysilane.The vibrational spectra of (CH3)3SiX (S=H, F, Br) molecules, revisited Transferable scale factor sets for methylsilane derivatives.Solvent Effects on the Monomer/Hydrogen-Bonded Dimer Equilibrium in Carboxylic Acids: (+)-(S)-Ketopinic Acid as a Case Study.DFT-Aided Vibrational Circular Dichroism Spectroscopy Study of (-)-S-cotinine.Triethylsilanol: molecular conformations and role of the hydrogen-bonding oligomerization in its vibrational spectra.An experimental and theoretical study of the molecular structure and vibrational spectra of iodotrimethylsilane (SiIMe3).Analysis of pigments and coverings by X-ray diffraction (XRD) and micro Raman spectroscopy (MRS) in the cemetery of Tutugi (Galera, Granada, Spain) and the settlement convento 2 (Montemayor, Córdoba, Spain).Hyperconjugative and Electrostatic Interactions as Anomeric Triggers in Archetypical 1,4-Dioxane Derivatives.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.Conformational properties of chiral tobacco alkaloids by DFT calculations and vibrational circular dichroism: (-)-S-anabasine.An assessment of DFT methods for predicting the thermochemistry of ion-molecule reactions of group 14 elements (Si, Ge, Sn).DFT study of the hydrolysis reaction in atranes and ocanes: the influence of transannular bondingVibrational Circular Dichroism and Theoretical Study of the Conformational Equilibrium in (−)-S-NicotineQuantum chemical study of silanediols as metal binding groups for metalloprotease inhibitorsEffect of substituents and hydrogen bonding on barrier heights in dehydration reactions of carbon and silicon geminal diolsConformational landscape of small organosilicon compounds from the combined use of gas electron diffraction, IR and Raman spectroscopies and quantum chemical calculations: diethyldichlorosilaneStructure and vibrational spectra of dimethylsilanediol and methylsilanetriol dimersConformations, Structures, and Vibrational Spectra of Triethylchloro- and Triethylbromosilane Using Theoretical Methods, Gas Phase Electron Diffraction, and IR and Raman SpectroscopyValidation of the existence of tetrameric species of potassium trimethylsilanolate in the gas phase with a theoretical cluster model: role of the counterion as charge localizer in the structureStructure and vibrational spectra of Ti(IV) hydroxides and their clusters with expanded titanium coordination. DFT studyA Mechanism-Based Sphingosine-1-phosphate Lyase Inhibitor
P50
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P50
description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Manuel Montejo
@ast
Manuel Montejo
@en
Manuel Montejo
@es
Manuel Montejo
@nl
Manuel Montejo
@sl
type
label
Manuel Montejo
@ast
Manuel Montejo
@en
Manuel Montejo
@es
Manuel Montejo
@nl
Manuel Montejo
@sl
altLabel
Manuel Montejo Gámez
@en
prefLabel
Manuel Montejo
@ast
Manuel Montejo
@en
Manuel Montejo
@es
Manuel Montejo
@nl
Manuel Montejo
@sl
P106
P1153
8420004000
P21
P31
P496
0000-0002-8296-4078