List of works - Manuel Montejo

A Mechanism-Based Sphingosine-1-phosphate Lyase Inhibitor

scientific article published on 03 January 2020

An assessment of DFT methods for predicting the thermochemistry of ion-molecule reactions of group 14 elements (Si, Ge, Sn).

scientific article

An experimental and theoretical study of the molecular structure and vibrational spectra of iodotrimethylsilane (SiIMe3).

scientific article published on 8 November 2005

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).

scientific article published in August 2006

Conformational landscape of small organosilicon compounds from the combined use of gas electron diffraction, IR and Raman spectroscopies and quantum chemical calculations: diethyldichlorosilane

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

scientific article published on 27 May 2015

Conformations, Structures, and Vibrational Spectra of Triethylchloro- and Triethylbromosilane Using Theoretical Methods, Gas Phase Electron Diffraction, and IR and Raman Spectroscopy

scientific article published on 28 March 2007

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

scientific article published on 07 December 2015

DFT-Aided Vibrational Circular Dichroism Spectroscopy Study of (-)-S-cotinine

scientific article

Effect of substituents and hydrogen bonding on barrier heights in dehydration reactions of carbon and silicon geminal diols

scientific article published on 22 September 2011

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

scientific article published on 14 December 2015

Intermolecular charge transfer and hydrogen bonding in solid furan.

scientific article published in November 2004

Mechanism of the catalytic activity of nucleophiles in the stepwise hydrolysis and condensation reactions of tetramethoxysilane.

scientific article published in April 2009

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

scientific article published on 15 January 2013

Role of structures with penta- and hexacoordinate silicon in the nucleophile-catalyzed hydrolysis of tetramethoxysilane.

scientific article published on 3 December 2008

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

scientific article published on 7 April 2016

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

scientific article

Structure and vibrational spectra of Ti(IV) hydroxides and their clusters with expanded titanium coordination. DFT study

scientific article published on 17 July 2007

Structure and vibrational spectra of dimethylsilanediol and methylsilanetriol dimers

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

scientific article

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

scientific article published on 18 September 2013

The vibrational spectra of (CH3)3SiX (S=H, F, Br) molecules, revisited Transferable scale factor sets for methylsilane derivatives.

scientific article published on 20 June 2005

Theoretical and experimental vibrational spectrum study of 4-hydroxybenzoic acid as monomer and dimer.

scientific article published on 6 February 2010

Theoretical study of the mechanisms of the hydrolysis and condensation reactions of silicon and titanium alkoxides: similarities and differences.

scientific article published on 22 June 2010

Triethylsilanol: molecular conformations and role of the hydrogen-bonding oligomerization in its vibrational spectra

scientific article published on 30 January 2008

Validation 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 structure

scientific article published on 14 March 2007

Vibrational Circular Dichroism and Theoretical Study of the Conformational Equilibrium in (−)-S-Nicotine

article

List of works by Manuel Montejo

A Mechanism-Based Sphingosine-1-phosphate Lyase Inhibitor

An assessment of DFT methods for predicting the thermochemistry of ion-molecule reactions of group 14 elements (Si, Ge, Sn).

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).

Conformational landscape of small organosilicon compounds from the combined use of gas electron diffraction, IR and Raman spectroscopies and quantum chemical calculations: diethyldichlorosilane

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

Conformations, Structures, and Vibrational Spectra of Triethylchloro- and Triethylbromosilane Using Theoretical Methods, Gas Phase Electron Diffraction, and IR and Raman Spectroscopy

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

DFT-Aided Vibrational Circular Dichroism Spectroscopy Study of (-)-S-cotinine

Effect of substituents and hydrogen bonding on barrier heights in dehydration reactions of carbon and silicon geminal diols

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

Intermolecular charge transfer and hydrogen bonding in solid furan.

Mechanism of the catalytic activity of nucleophiles in the stepwise hydrolysis and condensation reactions of tetramethoxysilane.

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

Role of structures with penta- and hexacoordinate silicon in the nucleophile-catalyzed hydrolysis of tetramethoxysilane.

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

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

Structure and vibrational spectra of Ti(IV) hydroxides and their clusters with expanded titanium coordination. DFT study

Structure and vibrational spectra of dimethylsilanediol and methylsilanetriol dimers

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

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

The vibrational spectra of (CH3)3SiX (S=H, F, Br) molecules, revisited Transferable scale factor sets for methylsilane derivatives.

Theoretical and experimental vibrational spectrum study of 4-hydroxybenzoic acid as monomer and dimer.

Theoretical study of the mechanisms of the hydrolysis and condensation reactions of silicon and titanium alkoxides: similarities and differences.

Triethylsilanol: molecular conformations and role of the hydrogen-bonding oligomerization in its vibrational spectra

Validation 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 structure

Vibrational Circular Dichroism and Theoretical Study of the Conformational Equilibrium in (−)-S-Nicotine