(Q38176592)

30 August 2017

Gas-phase basicities of polyfunctional molecules. Part 4: Carbonyl groups as basic sites (English)

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30 August 2017

Guy Bouchoux

1

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30 August 2017

7 January 2014

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Mass Spectrometry Reviews

30 August 2017

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30 August 2017

34

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30 August 2017

5

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30 August 2017

493-534

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Computational chemistry: a useful (sometimes mandatory) tool in mass spectrometry studies

30 August 2017

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Gas phase basicities of polyfunctional molecules. Part 3: Amino acids

21 January 2018

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Gas-phase basicity of glycine, alanine, proline, serine, lysine, histidine and some of their peptides by the thermokinetic method

21 January 2018

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Gas-phase basicities of polyfunctional molecules. Part 2: Saturated basic sites

21 January 2018

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Protonation thermochemistry of selected hydroxy- and methoxycarbonyl molecules.

21 January 2018

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Critical evaluation of kinetic method measurements: possible origins of nonlinear effects

21 January 2018

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IR spectroscopic features of gaseous C7H7O+ ions: benzylium versus tropylium ion structures

21 January 2018

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Polyglycine conformational analysis: calculated vs experimental gas-phase basicities and proton affinities.

21 January 2018

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Gaussian-3 (G3) theory for molecules containing first and second-row atoms

21 January 2018

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Concepts of sterically hindered resonance and buttressing effect: gas-phase acidities of methyl-substituted benzoic acids and basicities of their methyl esters

21 January 2018

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Substituent effect and multisite protonation in the fragmentation of alkyl benzoates

21 January 2018

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Ion-molecule reactions as probes of gas-phase structures of peptides and proteins

21 January 2018

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Electron super-rich radicals. III. On the peculiar behavior of the aminodihydroxymethyl radical in the gas phase.

21 January 2018

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

21 January 2018

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Calculations on noncovalent interactions and databases of benchmark interaction energies

21 January 2018

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Conformations of Gly(n)H+ and Ala(n)H+ peptides in the gas phase

21 January 2018

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Comparison of the performance of dispersion-corrected density functional theory for weak hydrogen bonds.

21 January 2018

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Gas-phase basicities around and below water revisited

21 January 2018

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Ab initio molecular dynamics of protonated dialanine and comparison to infrared multiphoton dissociation experiments.

21 January 2018

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21 January 2018

The ionic hydrogen bond

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Group-specific fragmentation of pesticides and related compounds in liquid chromatography-tandem mass spectrometry

21 January 2018

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Proton affinities of the N- and C-terminal segments arising upon the dissociation of the amide bond in protonated peptides.

21 January 2018

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

21 January 2018

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Stabilization and structure calculations for noncovalent interactions in extended molecular systems based on wave function and density functional theories.

21 January 2018

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Proton migration and tautomerism in protonated triglycine

21 January 2018

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Decomposition of neutral, singly and doubly protonated benzoquinone in the gas phase.

21 January 2018

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Structure-energy relationship in barbituric acid: a calorimetric, computational, and crystallographic study

21 January 2018

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Infrared multiphoton dissociation spectroscopy study of protonated p-aminobenzoic acid: does electrospray ionization afford the amino- or carboxy-protonated ion?

21 January 2018

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Fingerprint vibrational spectra of protonated methyl esters of amino acids in the gas phase.

21 January 2018

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Protonation sites and dissociation mechanisms of t-butylcarbamates in tandem mass spectrometric assays for newborn screening.

21 January 2018

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Protonated urea collision-induced dissociation. Comparison of experiments and chemical dynamics simulations.

21 January 2018

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Gas-phase versus liquid-phase structures by electrospray ionization mass spectrometry.

21 January 2018

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Structure of the gas-phase glycine tripeptide

21 January 2018

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Absolute proton affinity for acetaldehyde

21 January 2018

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Vibrational spectroscopy and conformational structure of protonated polyalanine peptides isolated in the gas phase.

21 January 2018

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Evaluation of the enthalpy of formation, proton affinity, and gas-phase basicity of gamma-butyrolactone and 2-pyrrolidinone by isodesmic reactions

21 January 2018

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Effects of Internal Hydrogen Bonds between Amide Groups: Protonation of Alicyclic Diamides

21 January 2018

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Intrinsic basicity of oligomeric peptides that contain glycine, alanine, and valine-The effects of the alkyl side chain on proton transfer reactions

21 January 2018

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Protonation sites and conformations of peptides of glycine (Gly(1-5)H(+)) by IRMPD spectroscopy.

21 January 2018

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Absolute thermodynamic measurements of alkali metal cation interactions with a simple dipeptide and tripeptide

21 January 2018

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Comprehensive conformational studies of five tripeptides and a deduced method for efficient determinations of peptide structures.

21 January 2018

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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun

21 January 2018

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Barbituric and thiobarbituric acids: a conformational and spectroscopic study

21 January 2018

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21 January 2018

Identifiers

DOI

10.1002/MAS.21416

1 reference

30 August 2017

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PubMed ID

24399766