List of works - José L. Alonso

A molecular-beam Fourier transform microwave study of difluoromethane dimer

A new real time PCR-based assay for diagnosing Renibacterium salmoninarum in rainbow trout (Oncorhynchus mykiss) and comparison with other techniques.

scientific article

A physically meaningful method for the comparison of potential energy functions

A rotational study of the AlaAla dipeptide

scientific article published on 05 May 2020

Accurate Characterization of the Peptide Linkage in the Gas Phase: A Joint Quantum-Chemical and Rotational Spectroscopy Study of the Glycine Dipeptide Analogue.

scientific article published on 24 January 2014

Accurate molecular structure and spectroscopic properties of nucleobases: a combined computational-microwave investigation of 2-thiouracil as a case study

scientific article

Alanine water complexes.

scientific article

Alkaline and Alkaline-earth Cyanoacetylides: A Combined Theoretical and Rotational Spectroscopic Investigation

scientific article published on 01 August 2019

All five forms of cytosine revealed in the gas phase.

scientific article published on 22 January 2013

An exact expression to calculate the derivatives of position-dependent observables in molecular simulations with flexible constraints

scientific article

Analysis of illicit drugs by direct ablation of solid samples.

scientific article published in January 2015

Bifurcated CH2 ... O and (C-H)2 ... F-C weak hydrogen bonds: the oxirane-difluoromethane complex

scientific article published in November 2004

Coded amino acids in gas phase: the shape of isoleucine

scientific article

Comment on “Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction” [J. Chem. Phys. 137, 22A530 (2012)]

article

Conformational behavior of norephedrine, ephedrine, and pseudoephedrine.

scientific article published in April 2009

Conformational study of 2-phenylethylamine by molecular-beam Fourier transform microwave spectroscopy

scientific article published on 28 June 2007

Conformational study of taurine in the gas phase

scientific article published in December 2009

Conformations of D-xylose: the pivotal role of the intramolecular hydrogen-bonding

scientific article

Conformations of alpha-aminobutyric acid in the gas phase.

scientific article

Conformations of γ-aminobutyric acid (GABA): the role of the n→π* interaction

scientific article published on November 2010

Conformers of β-aminoisobutyric acid probed by jet-cooled microwave and matrix isolation infrared spectroscopic techniques.

scientific article

Definition of Systematic, Approximately Separable, and Modular Internal Coordinates (SASMIC) for macromolecular simulation

scientific article published on 01 July 2006

Detection of SiCCO in the Laboratory ⬇️

scientific article published in the Astrophysical Journal

Disentangling the Puzzle of Hydrogen Bonding in Vitamin C.

scientific article

Effect of fish farming on the water quality of rivers in northeast Spain.

scientific article published in January 2009

Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory.

scientific article published on 28 August 2008

Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets

article

Ehrenfest dynamics is purity non-preserving: a necessary ingredient for decoherence.

scientific article published in August 2012

Erythrose revealed as furanose forms.

scientific article

Exact and efficient calculation of Lagrange multipliers in biological polymers with constrained bond lengths and bond angles: proteins and nucleic acids as example cases.

scientific article published on 8 August 2011

Fermi Resonance and Coriolis Coupling between ν5and 2ν6in CH235ClF

Foreword

Fourier transform microwave spectroscopy of Ac-Ser-NH2: the role of side chain interactions in peptide folding.

scientific article published on July 2015

Free internal rotation in CH3–CC–CF3

Gas-Phase Conformational Map of the Amino Acid Isovaline

scientific article published on 19 February 2020

Gas-phase structure of N,N-dimethylglycine.

scientific article

Generation and structural characterization of aluminum cyanoacetylide

scientific article

High-Resolution Rotational Spectroscopy of a Cyclic Ether

scientific article published on 31 January 2012

Hints of a rotating spiral structure in the innermost regions around IRC +10216.

scientific article published in February 2016

How water links to cis and trans peptidic groups: the rotational spectrum of N-methylformamide-water

scientific article published on 23 July 2010

Intermolecular hydrogen bond in molecules with large amplitude motions: rotational spectrum of the complex 3,3-dimethyloxetane...hydrogen fluoride

scientific article published in March 2005

Intramolecular interactions in the polar headgroup of sphingosine: serinol.

scientific article published on 04 January 2016

Intrinsic folding of the cysteine residue: competition between folded and extended forms mediated by the -SH group

scientific article published on 01 September 2020

Investigation of the quadrupole coupling hyperfine structure due to two nuclei by molecular beam Fourier transform microwave spectroscopy: spectra of dichlorofluoromethane and pyridazine

Jet-cooled rotational spectrum of laser-ablated 1,3,5-trithiane

Jet-cooled rotational spectrum of laser-ablated phenylalanine

scientific article

Laser Ablation Assists Cyclization Reactions of Hydantoic Acid: A Proof for the Near-Attack Conformation Theory?

scientific article published on 07 March 2019

Metallic cyanoacetylides of copper, silver and gold: generation and structural characterization.

scientific article

Microsolvation of 2-azetidinone: a model for the peptide group–water interactions

scientific article published on 05 December 2014

Microsolvation of Formamide: A Rotational Study

scientific article published on 01 September 2006

Microwave spectroscopy and quantum chemical investigation of nine low energy conformers of the 15-crown-5 ether

scientific article published on 16 August 2012

Microwave spectroscopy of biomolecular building blocks.

scientific article published on January 2015

Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics

scientific article published in April 2009

Molecular beam pulsed-discharge Fourier transform microwave spectra of CH3–CC–F, CH3–(CC)2–F, and CH3–(CC)3–F

Molecular beam rotational spectrum of cyclobutanone-trifluoromethane: nature of weak CH...O=C and CH...F hydrogen bonds

scientific article

Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small molecules

article

Nonextensive thermodynamic functions in the Schrödinger-Gibbs ensemble

scientific article published on 25 February 2015

Observation of two new conformers of neutral proline.

scientific article

Picolinic and isonicotinic acids: a Fourier transform microwave spectroscopy study

scientific article

Probing the γ-turn in a short proline dipeptide chain.

scientific article

Probing thymine with laser ablation molecular beam Fourier transform microwave spectroscopy.

scientific article

Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the alanine dipeptide

scientific article published on 01 November 2006

Rapid probe of the nicotine spectra by high-resolution rotational spectroscopy

scientific article published on 21 October 2011

Relevant distance between two different instances of the same potential energy in protein folding

article by José L. Alonso & Pablo Echenique published April 2005 in Biophysical Chemistry

Revealing the multiple structures of serine

scientific article published on 12 December 2007

Rotational Spectrum of Saccharin: Structure and Sweetness

scientific article published on 19 March 2019

Rotational probes of six conformers of neutral cysteine

scientific article

Rotational spectra of rare isotopic species of fluoroiodomethane: determination of the equilibrium structure from rotational spectroscopy and quantum-chemical calculations

scientific article published on 14 July 2012

Rotational spectral signatures of four tautomers of guanine.

scientific article published in January 2009

Rotational spectrum of tryptophan.

scientific article

Seven Conformers of Neutral Dopamine Revealed in the Gas Phase.

scientific article published on 23 January 2013

Seven conformers of L-threonine in the gas phase: a LA-MB-FTMW study.

scientific article

Shape of 4S- and 4R-hydroxyproline in gas phase.

scientific article

Six conformers of neutral aspartic acid identified in the gas phase.

scientific article

Six pyranoside forms of free 2-deoxy-D-ribose.

scientific article

Spectroscopic investigation of fluoroiodomethane, CH2FI: Fourier-transform microwave and millimeter-/submillimeter-wave spectroscopy and quantum-chemical calculations

scientific article published on 7 May 2011

Sweet Structural Signatures Unveiled in Ketohexoses.

scientific article

Tautomerism and microsolvation in 2-hydroxypyridine/2-pyridone.

scientific article published on November 2010

Tautomerism in neutral histidine

scientific article

The C-H...pi hydrogen bond in the benzene-trifluoromethane adduct: a rotational study

scientific article published in December 2005

The Conformational Map Of Phenolic Acids.

scientific article

The Microwave Spectrum of 2-Chloro-1,1,1,2-Tetrafluoroethane

The Structure of the Elusive Simplest Dipeptide Gly-Gly.

scientific article

The alanine model dipeptide Ac-Ala-NH2 exists as a mixture of C7(eq) and C5 conformers.

scientific article

The conformation of the hydrogen bonded complex cyclohexene oxide⋯HCl: A rotational study

The conformational behaviour of freed-glucose—at last

The conformational locking of asparagine.

scientific article

The conformers of phenylglycine.

scientific article

The gas-phase structure of alanine

scientific article

The glycine-water complex

scientific article published on 01 May 2006

The hydrogen-bonded heterodimer between methylene cyclobutane and hydrogen chloride: Observation of an endo conformer

The internuclear potential, electronic structure, and chemical bond of tellurium selenide

scientific article published on 01 October 2005

The microwave spectrum of neurotransmitter serotonin.

scientific article

The nucleoside uridine isolated in the gas phase.

scientific article published on 12 February 2015

The rotational spectrum of the 3,3-dimethyloxetane⋯hydrogen chloride complex

The rotational spectrum of tyrosine.

scientific article published on 14 April 2015

The shape of D-glucosamine

scientific article

The shape of beta-alanine.

scientific article

The shape of leucine in the gas phase

scientific article

The shape of neutral sarcosine in gas phase

The shape of neutral valine

scientific article published in February 2004

The singular gas-phase structure of 1-aminocyclopropanecarboxylic acid (Ac3c).

scientific article

The structural signs of sweetness in artificial sweeteners: A rotational study of sorbitol and dulcitol

scientific article published on 20 November 2018

The structure of neutral proline

scientific article

The structure of uracil: a laser ablation rotational study.

scientific article

Tunnelling motion of HF between the two oxygen lone pairs in the dimethyl ether-hydrogen fluoride complex: a pure rotational study

Ubbelohde effect within weak C-H···π hydrogen bonds: the rotational spectrum of benzene-DCF3.

scientific article

Unveiling epimerization effects: a rotational study of α-D-galactose

scientific article published on 26 May 2015

Unveiling the Neutral Forms of Glutamine

scientific article published on 01 October 2019

Unveiling the sweet conformations of D-fructopyranose.

scientific article published on 10 February 2013

Water-water and water-solute interactions in microsolvated organic complexes.

scientific article

Weak C-H...O and C-H...F-C hydrogen bonds in the oxirane-trifluoromethane dimer

scientific article published in March 2004

Weak CH...F bridges and internal dynamics in the CH3F.CHF3 molecular complex

article

Weak, improper, C-O...H-C hydrogen bonds in the dimethyl ether dimer

scientific article published in March 2002

List of works by José L. Alonso

A molecular-beam Fourier transform microwave study of difluoromethane dimer

A new real time PCR-based assay for diagnosing Renibacterium salmoninarum in rainbow trout (Oncorhynchus mykiss) and comparison with other techniques.

A physically meaningful method for the comparison of potential energy functions

A rotational study of the AlaAla dipeptide

Accurate Characterization of the Peptide Linkage in the Gas Phase: A Joint Quantum-Chemical and Rotational Spectroscopy Study of the Glycine Dipeptide Analogue.

Accurate molecular structure and spectroscopic properties of nucleobases: a combined computational-microwave investigation of 2-thiouracil as a case study

Alanine water complexes.

Alkaline and Alkaline-earth Cyanoacetylides: A Combined Theoretical and Rotational Spectroscopic Investigation

All five forms of cytosine revealed in the gas phase.

An exact expression to calculate the derivatives of position-dependent observables in molecular simulations with flexible constraints

Analysis of illicit drugs by direct ablation of solid samples.

Bifurcated CH2 ... O and (C-H)2 ... F-C weak hydrogen bonds: the oxirane-difluoromethane complex

Coded amino acids in gas phase: the shape of isoleucine

Comment on “Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction” [J. Chem. Phys. 137, 22A530 (2012)]

Conformational behavior of norephedrine, ephedrine, and pseudoephedrine.

Conformational study of 2-phenylethylamine by molecular-beam Fourier transform microwave spectroscopy

Conformational study of taurine in the gas phase

Conformations of D-xylose: the pivotal role of the intramolecular hydrogen-bonding

Conformations of alpha-aminobutyric acid in the gas phase.

Conformations of γ-aminobutyric acid (GABA): the role of the n→π* interaction

Conformers of β-aminoisobutyric acid probed by jet-cooled microwave and matrix isolation infrared spectroscopic techniques.

Definition of Systematic, Approximately Separable, and Modular Internal Coordinates (SASMIC) for macromolecular simulation

Detection of SiCCO in the Laboratory ⬇️

Disentangling the Puzzle of Hydrogen Bonding in Vitamin C.

Effect of fish farming on the water quality of rivers in northeast Spain.

Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory.

Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets

Ehrenfest dynamics is purity non-preserving: a necessary ingredient for decoherence.

Erythrose revealed as furanose forms.

Exact and efficient calculation of Lagrange multipliers in biological polymers with constrained bond lengths and bond angles: proteins and nucleic acids as example cases.

Fermi Resonance and Coriolis Coupling between ν5and 2ν6in CH235ClF

Foreword

Fourier transform microwave spectroscopy of Ac-Ser-NH2: the role of side chain interactions in peptide folding.

Free internal rotation in CH3–CC–CF3

Gas-Phase Conformational Map of the Amino Acid Isovaline

Gas-phase structure of N,N-dimethylglycine.

Generation and structural characterization of aluminum cyanoacetylide

High-Resolution Rotational Spectroscopy of a Cyclic Ether

Hints of a rotating spiral structure in the innermost regions around IRC +10216.

How water links to cis and trans peptidic groups: the rotational spectrum of N-methylformamide-water

Intermolecular hydrogen bond in molecules with large amplitude motions: rotational spectrum of the complex 3,3-dimethyloxetane...hydrogen fluoride

Intramolecular interactions in the polar headgroup of sphingosine: serinol.

Intrinsic folding of the cysteine residue: competition between folded and extended forms mediated by the -SH group

Investigation of the quadrupole coupling hyperfine structure due to two nuclei by molecular beam Fourier transform microwave spectroscopy: spectra of dichlorofluoromethane and pyridazine

Jet-cooled rotational spectrum of laser-ablated 1,3,5-trithiane

Jet-cooled rotational spectrum of laser-ablated phenylalanine

Laser Ablation Assists Cyclization Reactions of Hydantoic Acid: A Proof for the Near-Attack Conformation Theory?

Metallic cyanoacetylides of copper, silver and gold: generation and structural characterization.

Microsolvation of 2-azetidinone: a model for the peptide group–water interactions

Microsolvation of Formamide: A Rotational Study

Microwave spectroscopy and quantum chemical investigation of nine low energy conformers of the 15-crown-5 ether

Microwave spectroscopy of biomolecular building blocks.

Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics

Molecular beam pulsed-discharge Fourier transform microwave spectra of CH3–CC–F, CH3–(CC)2–F, and CH3–(CC)3–F

Molecular beam rotational spectrum of cyclobutanone-trifluoromethane: nature of weak CH...O=C and CH...F hydrogen bonds

Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small molecules

Nonextensive thermodynamic functions in the Schrödinger-Gibbs ensemble

Observation of two new conformers of neutral proline.

Picolinic and isonicotinic acids: a Fourier transform microwave spectroscopy study

Probing the γ-turn in a short proline dipeptide chain.

Probing thymine with laser ablation molecular beam Fourier transform microwave spectroscopy.

Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the alanine dipeptide

Rapid probe of the nicotine spectra by high-resolution rotational spectroscopy

Relevant distance between two different instances of the same potential energy in protein folding

Revealing the multiple structures of serine

Rotational Spectrum of Saccharin: Structure and Sweetness

Rotational probes of six conformers of neutral cysteine

Rotational spectra of rare isotopic species of fluoroiodomethane: determination of the equilibrium structure from rotational spectroscopy and quantum-chemical calculations

Rotational spectral signatures of four tautomers of guanine.

Rotational spectrum of tryptophan.

Seven Conformers of Neutral Dopamine Revealed in the Gas Phase.

Seven conformers of L-threonine in the gas phase: a LA-MB-FTMW study.

Shape of 4S- and 4R-hydroxyproline in gas phase.

Six conformers of neutral aspartic acid identified in the gas phase.

Six pyranoside forms of free 2-deoxy-D-ribose.

Spectroscopic investigation of fluoroiodomethane, CH2FI: Fourier-transform microwave and millimeter-/submillimeter-wave spectroscopy and quantum-chemical calculations

Sweet Structural Signatures Unveiled in Ketohexoses.

Tautomerism and microsolvation in 2-hydroxypyridine/2-pyridone.

Tautomerism in neutral histidine