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List of works by Juan Zenón Dávalos

Ab initio and experimental thermodynamic and kinetic study of proton-assisted bond activation in gaseous hydrocarbons: deconvolution of reaction efficiencies in the case of adamantane

scientific article published on 01 July 2006

Ab initio quantum-chemical computations of the electronic states in HgBr2 and IBr: Molecules of interest on the Earth's atmosphere.

scientific article published on December 2016

Acidities of closo-1-COOH-1,7-C2B10H11 and amino acids based on icosahedral carbaboranes

scientific article published on 03 April 2014

Activation of the disulfide bond and chalcogen-chalcogen interactions: an experimental (FTICR) and computational study.

scientific article published in January 2007

Binary twinned-icosahedral [B21H18]- interacts with cyclodextrins as a precedent for its complexation with other organic motifs

scientific article

Can an amine be a stronger acid than a carboxylic acid? The surprisingly high acidity of amine-borane complexes

scientific article published on 11 October 2012

Cationic and anionic fragmentation of dichloromethane following inner-shell (Cl 1s) photoexcitation

scientific article published on 01 December 2006

Chemical modification of alginate with cysteine and its application for the removal of Pb(II) from aqueous solutions

scientific article published on 18 September 2018

Chemical modification of sodium alginate with thiosemicarbazide for the removal of Pb(II) and Cd(II) from aqueous solutions

scientific article published on 22 August 2018

Computational thermochemistry of six ureas, imidazolidin-2-one, N,N'-trimethyleneurea, benzimidazolinone, parabanic acid, barbital (5,5'-diethylbarbituric acid), and 3,4,4'-trichlorocarbanilide, with an extension to related compounds.

scientific article published on September 2010

Cubane, cuneane, and their carboxylates: a calorimetric, crystallographic, calculational, and conceptual coinvestigation.

scientific article published in July 2005

Dissociation dynamics and thermochemistry of tin species, (CH3)4Sn and (CH3)6Sn2, by threshold photoelectron-photoion coincidence spectroscopy

scientific article published on 23 December 2010

Dissociation of energy selected Sn(CH3)4(+), Sn(CH3)3Cl+, and Sn(CH3)3Br+ ions: evidence for isolated excited state dynamics

scientific article published on 05 September 2011

Energetic and Structural Properties of Two Phenolic Antioxidants: Tyrosol and Hydroxytyrosol

scientific article published on 11 April 2018

Energetic and structural study of bisphenols

scientific article published on 8 May 2014

Energetics and structural properties, in the gas phase, of trans-hydroxycinnamic acids

scientific article published on 24 February 2012

Energy resolved mass spectrometry of chlorogenic acids and its application to isomer quantification by direct infusion tandem mass spectrometry

scientific article published on 21 May 2018

Gas phase acidity measurement of local acidic groups in multifunctional species: controlling the binding sites in hydroxycinnamic acids.

scientific article published on 25 June 2013

Gas-Phase Acidities and Basicities of Alanines and N-Benzylalanines by the Extended Kinetic Method.

scientific article

Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process

scientific article published on 23 May 2019

How can a carbon atom be covalently bound to five ligands? The case of Si2(CH3)7+

scientific article published on 01 January 2007

Hydrogen-bonding interactions of (CF3)3CH and (CF3)3C- in the gas phase. An experimental (FT-ICR) and computational study.

scientific article

Impact of Glutathione-Enriched Inactive Dry Yeast Preparations on the Stability of Terpenes during Model Wine Aging

scientific article published on 30 January 2014

Investigating the Thermal Decomposition of Starch and Cellulose in Model Systems and Toasted Bread Using Domino Tandem Mass Spectrometry ⬇️

scientific article published on January 11, 2013

Partial-ion-yield studies of SOCl2 following x-ray absorption around the S and Cl K edges

scientific article published on 01 November 2012

Phase transition thermodynamics of bisphenols

scientific article published on 06 October 2014

Photoionization and ionic dissociation of the C3 H3 NS molecule induced by soft X-ray near the C1s edge.

scientific article published on 12 July 2017

Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition

scientific article published in Nature Communications

Protonation of cubane in the gas phase: a high-level Ab initio and DFT study

scientific article

Static and dynamic properties of 1,1'-bi-2-naphthol and its conjugated acids and bases

scientific article published on 18 September 2014

Stereoelectronic, strain, and medium effects on the protonation of cubylamine, a Janus-like base

scientific article published in May 2003

The Elusive Antiaromaticity of Maleimides and Maleic Anhydride: Enthalpies of Formation ofN-Methylmaleimide,N-Methylsuccinimide,N-Methylphthalimide, andN-Benzoyl-N-methylbenzamide

scientific article published on 01 May 1997

Thermochemistry and dissociative photoionization of Si(CH3)4, BrSi(CH3)3, ISi(CH3)3, and Si2(CH3)6 studied by threshold photoelectron-photoion coincidence spectroscopy

scientific article published on 01 July 2006

Thermochemistry and gas-phase ion energetics of 2-hydroxy-4-methoxy-benzophenone (oxybenzone).

scientific article

Threshold photoelectron-photoion coincidence spectroscopy: dissociation dynamics and thermochemistry of Ge(CH3)4, Ge(CH3)3Cl, and Ge(CH3)3Br

scientific article published on 01 April 2006

VUV photodissociation of thiazole molecule investigated by TOF-MS and photoelectron photoion coincidence spectroscopy.

scientific article

Why does pivalaldehyde (trimethylacetaldehyde) unexpectedly seem more basic than 1-adamantanecarbaldehyde in the gas phase? FT-ICR and high-level ab initio studies.

scientific article published in March 2005

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