J. Dávalos

发表

Liquid-vapor equilibria at 250.00.deg.K for systems containing methane, ethane, and carbon dioxide

W. R. Anderson, Robert E. Phelps, Wayne R. Anderson, 1976 .

The standard enthalpies of formation of 1- and 2-Adamantyl cations and radicals. An ab initio study

J. Abboud, R. Gomperts, J. Dávalos, 2001 .

Influence of the growth conditions on the magnetism of SrFe12O19 thin films and the behavior of Co/SrFe12O19 bilayers

J. Marco, S. Sánchez‐Cortés, J. Dávalos, 2020, Journal of Physics D: Applied Physics.

Thermochemical properties of two benzimidazole derivatives: 2-Phenyl- and 2-benzylbenzimidazole

M. Yáñez, J. Elguero, M. R. D. Silva, 2005 .

Experimental thermochemical study of two 2-alkylbenzimidazole isomers (alkyl=propyl and isopropyl)

M. Yáñez, J. Elguero, M. R. D. Silva, 2004 .

Substituent and ring effects on enthalpies of formation: 2-methyl- and 2-ethylbenzimidazoles versus benzene- and imidazole-derivatives

M. Yáñez, J. Elguero, J. Dávalos, 2004 .

Energy of Crowded Molecules: 3,4,5-Trimethoxybenzoic Acid

S. Böhm, J. Dávalos, P. Jiménez, 2001 .

Enthalpies of Formation of N-Substituted Pyrazoles and Imidazoles

M. Yáñez, J. Elguero, M. R. D. Silva, 1999 .

Corrosion studies of iron and its alloys by means of57Fe Mössbauer spectroscopy

J. Marco, J. Dávalos, M. Gracia, 1994 .

Investigating the thermal decomposition of starch and cellulose in model systems and toasted bread using domino tandem mass spectrometry.

J. Dávalos, N. Kuhnert, Agnieszka Golon, 2013, Journal of agricultural and food chemistry.

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

J. Dávalos, Ily M Mejía, H. Alarcon, 2019, International journal of biological macromolecules.

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

J. Dávalos, Ily M Mejía, H. Alarcon, 2018, International journal of biological macromolecules.

Photodissociation mechanisms of major Hg(II) species in the atmospheric chemical cycle of mercury.

D. Roca‐Sanjuán, J. S. Francisco, J. Dávalos, 2019, Angewandte Chemie.

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

J. Dávalos, T. Baer, Antonio Chana, 2013, Journal of the American Chemical Society.

The Chemistry of Mercury in the Stratosphere

D. Kinnison, D. Roca‐Sanjuán, J. Dávalos, 2022, Geophysical research letters.

Thermochemical study of the liquid phase equilibrium reaction of dihalomethanes by NMR spectroscopy

A. F. Lago, J. Dávalos, T. Baer, 2005 .

Energetic and structural study of bisphenols.

Luís M. N. B. F. Santos, J. Dávalos, J. F. Liebman, 2014, The journal of physical chemistry. A.

Phase transition thermodynamics of bisphenols.

Luís M. N. B. F. Santos, J. Dávalos, J. Costa, 2014, The journal of physical chemistry. A.

Energetic studies of urea derivatives: Standard molar enthalpy of formation of 3,4,4 '-trichlorocarbanilide

J. Elguero, M. R. D. Silva, J. Dávalos, 2010 .

Studies of LiCoOx thin film cathodes produced by r.f. sputtering

A. Gorenstein, M. Fantini, J. Dávalos, 1999 .

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

D. Roca‐Sanjuán, J. S. Francisco, J. Dávalos, 2019, Journal of the American Chemical Society.

Phenylisoxazole-3/5-Carbaldehyde Isonicotinylhydrazone Derivatives: Synthesis, Characterization, and Antitubercular Activity

M. Zimic, J. Dávalos, E. Spodine, 2021, Journal of Chemistry.

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

J. A. Santaballa, J. Dávalos, J. Holub, 2014, The journal of physical chemistry. A.

Acidity and Basicity of Cyclobutanes

J. Abboud, J. Dávalos, I. Alkorta, 2007 .

Experimental and theoretical investigation of the parabanic acid molecule following VUV excitation and photodissociation

J. Dávalos, J. Oliva, A. Lago, 2012 .

Structural studies of cyclic ureas: 3. Enthalpy of formation of barbital

J. Elguero, M. R. D. Silva, J. Dávalos, 2009 .

Substituent Effects on Enthalpies of Formation: Benzene Derivatives

M. Yáñez, J. Elguero, M. R. D. Silva, 2003 .

Ionic dissociation dynamics and energetics of hexamethyldigermanium, (CH3)6Ge2, by threshold photoelectron-photoion coincidence spectroscopy

J. Dávalos, T. Baer, C. Blancas, 2017 .

Thermochemistry of neutral and protonated 1,7,7-trimethylbicyclo[2.2.1]heptan-2-thione (thiocamphor)

J. Abboud, J. Dávalos, R. Notario, 1999 .

The intrinsic (gas-phase) acidities of bridgehead alcohols An experimental (FT-ICR) and computational study

J. Abboud, J. Dávalos, I. Koppel, 2007 .

Single-electron self-exchange between cage hydrocarbons and their radical cations in the gas phase.

D. Lenoir, J. Abboud, P. B. Coto, 2010, Chemphyschem : a European journal of chemical physics and physical chemistry.

Intrinsic (gas-phase) acidity and basicity of paracetamol

J. Dávalos, Javier González, A. Guerrero, 2013 .

Gas-phase proton affinity and basicity of hydroxybenzophenones

J. Dávalos, H. Loro, A. Lago, 2018, Chemical Physics Letters.

Photochemistry of oxidized Hg(I) and Hg(II) species suggests missing mercury oxidation in the troposphere

D. Jacob, D. Roca‐Sanjuán, J. S. Francisco, 2020, Proceedings of the National Academy of Sciences.

Intrinsic (gas phase) thermodynamic stability of 2-adamantyl cation. Its bearing on the solvolysis rates of 2-adamantyl derivatives.

J. Abboud, R. Gomperts, J. Dávalos, 2002, The Journal of organic chemistry.

Experimental and computational thermochemistry of 2- and 3-thiophenecarboxylic acids

J. Dávalos, R. Notario, M. Temprado, 2002 .

The corrosion products of weathering steel and pure iron in simulated wet-dry cycles

J. Marco, J. Dávalos, M. Gracia, 1991 .

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

J. Dávalos, M. Simon, R. L. Cavasso Filho, 2017, Journal of mass spectrometry : JMS.

Thermochemical and structural properties of DMAN-“proton sponges”

Luís M. N. B. F. Santos, J. Dávalos, J. Costa, 2012 .

Energetics and structural properties of neutral and deprotonated phenyl carbinols

J. Dávalos, A. Guerrero, A. Lago, 2016 .

Influence of carbocation stability in the gas phase on solvolytic reactivity: beyond bridgehead derivatives.

J. Abboud, J. Dávalos, P. Müller, 2003, The Journal of organic chemistry.

A theoretical study of (old and new) non-classical carbocations derived from cyclic saturated hydrocarbons

J. Abboud, J. Dávalos, I. Alkorta, 2003 .

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

J. Dávalos, M. Simon, A. Lago, 2014, Journal of mass spectrometry : JMS.

The ever-surprising chemistry of boron: enhanced acidity of phosphine.boranes.

J. Abboud, M. Yáñez, J. Dávalos, 2009, Chemistry.

THE FIRST DIRECT EXPERIMENTAL DETERMINATION OF STRAIN IN NEUTRAL AND PROTONATED 2-AZETIDINONE

J. Abboud, J. Dávalos, R. Notario, 1996 .

The Thermodynamic Stability of Adamantylideneadamantane and Its Proton- and Electron-Exchanges. Comparison with Simple Alkenes

D. Lenoir, J. Abboud, J. Dávalos, 2016 .

Enthalpy of formation of methyl benzoate: calorimetry and consequences

J. Dávalos, J. F. Liebman, M. Temprado, 2002 .

A silver complex of chloroquine: synthesis, characterization and structural properties

J. Elguero, J. Dávalos, I. Alkorta, 2013 .

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

J. Elguero, J. Dávalos, A. Lesarri, 2014, Chemistry.

The Plausible Aromaticity of 1,8-Naphthalimides: The Enthalpy of Formation of N-Methyl-1,8-Naphthalimide

V. Rotello, J. Dávalos, J. F. Liebman, 2000 .

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

J. Dávalos, A. Bodi, T. Baer, 2011, Physical chemistry chemical physics : PCCP.

[Li(tmeda)2][cyclo-(P5But4)]: An unusual ion-separated lithium oligophosphanide

E. Hey‐Hawkins, J. Dávalos, S. Gómez‐Ruiz, 2010 .

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

P. Hobza, J. Dávalos, W. Nau, 2017, Physical chemistry chemical physics : PCCP.

Predicted Gas-Phase and Liquid-Phase Acidities of Carborane Carboxylic and Dicarboxylic Acids

J. A. Santaballa, J. Dávalos, S. Humbel, 2018 .

Gas-phase basicities around and below water revisited.

J. Abboud, I. Leito, J. Dávalos, 2010, The journal of physical chemistry. A.

Enthalpies of formation of methyl benzenecarboxylates

J. Dávalos, J. F. Liebman, C. Turrión, 1998 .

Thermochemistry of 9-hydroxy-1,4-anthraquinone and 9-methoxy-1,4-anthraquinone

J. Dávalos, P. Jiménez, M. Roux, 2002 .

USE OF RITA® TEMPORARY IMMERSION SYSTEM TO OBTAIN MICROTUBERS OF SEVERAL MASHUA (Tropaeolum tuberosum Ruiz & Pavón) MORPHOTYPES

J. Dávalos, Gilmar Peña, Roxana Carhuaz, 2020, Tropical and Subtropical Agroecosystems.

Thermophysical, crystalline and infrared studies of the 2- and 3-thiophenecarboxylic acids

J. Dávalos, C. Foces-Foces, M. Temprado, 2003 .

Structural studies of cyclic ureas: 2. Enthalpy of formation of parabanic acid

J. Elguero, M. R. D. Silva, J. Dávalos, 2008 .

Structural studies of cyclic ureas: 1. Enthalpies of formation of imidazolidin-2-one and N,N′-trimethyleneurea

J. Elguero, J. Dávalos, M. D. R. D. Silva, 2008 .

Heats of formation of GeH4, GeF4 and Ge(CH3)4

J. Dávalos, T. Baer, H. Koizumi, 2006 .

Thermodynamic Stabilities of Carbocations

J. Abboud, J. Dávalos, P. Müller, 2002 .

Electron-ion coincidence studies of epichlorohydrin molecule following core-level excitation

J. Dávalos, A. Lago, A. N. Brito, 2007 .

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

J. Dávalos, J. F. Liebman, P. Jiménez, 1997, The Journal of organic chemistry.

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

J. Dávalos, P. Jiménez, Antonio Chana, 2012, The journal of physical chemistry. A.

Protic Acidity of Some Aliphatic and Alicyclic Hydrocarbons in the Gas Phase and in Solution. An Empirical and Computational Link

J. Abboud, J. Dávalos, I. Alkorta, 2004 .

Nitro derivatives of pyrrole, furan and 1H-tetrazole: ring or nitro bases?

J. Abboud, M. Yáñez, J. Dávalos, 2002 .

Experimental and computational gas-phase acidity of cyclic ureas

J. Dávalos, F. J. Gonzalez, Violeta Romero, 2021, International Journal of Mass Spectrometry.

Energetics of neutral and deprotonated (Z)-cinnamic acid

Luís M. N. B. F. Santos, J. Dávalos, Artur M. S. Silva, 2016 .

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

M. Yáñez, J. Dávalos, A. Lamsabhi, 2012, Chemistry.

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

J. Abboud, M. Yáñez, J. Dávalos, 2007, Chemistry.

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.

J. Abboud, J. Dávalos, J. Gal, 2006, Chemistry.

The enormous apparent gas-phase acidity of cubylamine

E. W. Della, J. Abboud, J. Dávalos, 2004 .

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

E. W. Della, J. Abboud, J. Dávalos, 2003, Angewandte Chemie.

The design, construction and testing of a microcombustion calorimeter suitable for organic compounds containing C, H and O

J. Dávalos, M. Roux, 2000 .

A density functional and ab initio investigation of the p-aminobenzoic acid molecule

J. Dávalos, A. Lago, A. N. Brito, 2007 .

Thermochemistry of R-SH group in gaseous phase: Experimental and theoretical studies of three sulfur imidazole derivatives

J. Dávalos, M. D. R. D. Silva, R. Notario, 2018, The Journal of Chemical Thermodynamics.

The P4···Li+ Ion in the Gas Phase: A Planetary System

J. Abboud, M. Yáñez, J. Dávalos, 2000 .

Thermochemistry of halogen-containing organic compounds with influence on atmospheric chemistry

J. Dávalos, A. Saiz‐Lopez, R. Notario, 2017 .

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

J. Abboud, J. Dávalos, P. Burk, 2003, Angewandte Chemie.

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

J. Abboud, M. Yáñez, J. Dávalos, 2007, Angewandte Chemie.

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

M. Alcamí, J. Abboud, M. Yáñez, 2005, Chemistry.

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

D. Jacob, D. Roca‐Sanjuán, J. Dávalos, 2018, Nature Communications.

Indole-3-carbaldehyde Semicarbazone Derivatives: Synthesis, Characterization, and Antibacterial Activities

J. Dávalos, E. Spodine, C. Álvarez, 2020 .

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

Rakesh Jaiswal, J. Dávalos, N. Kuhnert, 2018, Phytochemical analysis : PCA.

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

J. Dávalos, M. D. Ribeiro da Silva, Vera L. S. Freitas, 2018, The journal of physical chemistry. A.

Evaluation of poultry litter as a feasible fuel

Pilar Jiménez, J. Dávalos, P. Jiménez, 2002 .

Investigation on the molecular structure and VUV induced ion dissociation dynamics of the 2-azetidinone (C3 H5 NO).

J. Dávalos, R. Cavasso-Filho, A. Lago, 2020, Rapid communications in mass spectrometry : RCM.

The use of Mössbauer spectroscopy in surface studies. A methodological survey

J. Marco, J. Dávalos, M. Gracia, 1997 .

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

W. Stolte, J. Dávalos, M. Piancastelli, 2012, The Journal of chemical physics.

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

J. Dávalos, A. Schlachter, A. Lago, 2006, Journal of Physical Chemistry A.

Thermochemistry of 1,3-dithiacyclohexane 1-oxide (1,3-dithiane sulfoxide): calorimetric and computational study.

J. Dávalos, R. Notario, E. Juaristi, 2004, The Journal of organic chemistry.

Photodissociation Mechanisms of Major Mercury(II) Species in the Atmospheric Chemical Cycle of Mercury

D. Roca‐Sanjuán, J. Dávalos, A. Saiz‐Lopez, 2020, Angewandte Chemie.

Thermochemical and structural properties of anthraquinones

J. Dávalos, E. Lewars, T. Filipova, 2013, Structural Chemistry.

Corrosion of weathering steel and iron under wet-dry cycling conditions: Influence of the rise of temperature during the dry period

J. Marco, J. Dávalos, M. Gracia, 1992 .

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

D. Roca‐Sanjuán, D. Jacob, J. Dávalos, 2022, Nature communications.

Thermochemical and structural studies of gallic and ellagic acids

Luís M. N. B. F. Santos, J. Dávalos, C. Lima, 2019, The Journal of Chemical Thermodynamics.

Calorimetric and computational study of thiacyclohexane 1-oxide and thiacyclohexane 1,1-dioxide (thiane sulfoxide and thiane sulfone). Enthalpies of formation and the energy of the S=O bond.

J. Dávalos, R. Notario, E. Juaristi, 2003, The Journal of organic chemistry.

Neutral, ion gas-phase energetics and structural properties of hydroxybenzophenones.

Luís M. N. B. F. Santos, J. Abboud, J. Dávalos, 2010, The Journal of organic chemistry.

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

D. Roca‐Sanjuán, J. Dávalos, O. Oña, 2016, The Journal of chemical physics.

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

D. Roca‐Sanjuán, D. Jacob, J. Dávalos, 2018, Nature Communications.

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

A. Bashir-Hashemi, J. Dávalos, R. Notario, 2005, The Journal of organic chemistry.

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.

J. Elguero, M. Ribeiro da Silva, J. Dávalos, 2010, The journal of physical chemistry. A.

Cation Distribution and Magnetic Interactions in Substituted Iron-Containing Garnets: Characterization by Iron-57 Mössbauer Spectroscopy

J. Marco, P. Slater, J. Dávalos, 1996 .

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

J. Abboud, J. Dávalos, P. Jiménez, 2008, Journal of Physical Chemistry A.

Structural effects on the thermochemical properties of cycloalkanones: II. Enthalpy of combustion, vapour pressures, enthalpy of sublimation, and standard molar enthalpy of formation in the gaseous phase of cyclopentadecanone

J. Abboud, J. Dávalos, P. Jiménez, 1997 .

Large structural effects in neutral and protonated species: a computational study†

J. Abboud, J. Dávalos, I. Alkorta, 2001 .

Destabilization in the isomeric nitrobenzonitriles: an experimental thermochemical study

J. Dávalos, M. Temprado, P. Jiménez, 2003 .

Structural, thermal and energetic properties of Andean-pseudocereal flours with high nutritional values

J. Dávalos, F. Gamarra, Violeta Romero, 2023, Journal of Thermal Analysis and Calorimetry.

Molecular Energetic of Organic Species with Environmental Impact

J. Dávalos, Jhonatan Martinez, 2018, Journal of Physics: Conference Series.

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

P. Hobza, J. Dávalos, W. Nau, 2017, Physical chemistry chemical physics : PCCP.

Phase transition thermodynamics of bisphenols.

Luís M. N. B. F. Santos, J. Dávalos, J. Costa, 2014, The journal of physical chemistry. A.