List of works - Alberto Lesarri

A DFT-Based Computational-Experimental Methodology for Synthetic Chemistry: Example of Application to the Catalytic Opening of Epoxides by Titanocene.

scientific article

A butterfly motion of formic acid and cyclobutanone in the 1 : 1 hydrogen bonded molecular cluster

scientific article published on 30 November 2016

A combined spectroscopic and theoretical study of propofol·(H2O)3.

scientific article

A molecular-beam Fourier transform microwave study of difluoromethane dimer

A rotational study of laser ablated thiourea

scientific article published in April 2004

AUTOFIT, an automated fitting tool for broadband rotational spectra, and applications to 1-hexanal

scientific article

Accurate equilibrium structures for piperidine and cyclohexane

scientific article

Accurate semiexperimental structure of 1,3,4-oxadiazole by the mixed estimation method.

scientific article

Axial and equatorial hydrogen bonds: jet-cooled rotational spectrum of the pentamethylene sulfide...hydrogen fluoride complex

scientific article

Axial-equatorial isomerism and semiexperimental equilibrium structures of fluorocyclohexane.

scientific article

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

scientific article published in November 2004

Chiral recognition and atropisomerism in the sevoflurane dimer

scientific article

Coded amino acids in gas phase: the shape of isoleucine

scientific article published in September 2005

Combined experimental and theoretical study of the benzocaine/Ar van der Waals system in supersonic expansions.

scientific article

Competition between weak hydrogen bonds: C-H···Cl is preferred to C-H···F in CH2ClF-H2CO, as revealed by rotational spectroscopy

article

Conformation and stability of the hydrogen-bonded complex 6-oxabicyclo

scientific article published on 01 September 2000

Conformational Behavior of d-Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies

scientific article published on 04 June 2019

Conformational behaviour, hydrogen bond competition and intramolecular dynamics in vanillin derivatives: acetovanillone and 6-hydroxy-3-methoxyacetophenone

scientific article published on 27 June 2011

Conformational flexibility of mephenesin

scientific article published on 07 May 2014

Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben

scientific article published on 30 April 2020

Conformations of alpha-aminobutyric acid in the gas phase.

scientific article

Detection of SiCCO in the Laboratory ⬇️

scientific article published in the Astrophysical Journal

Discriminating the structure of exo-2-aminonorbornane using nuclear quadrupole coupling interactions

scientific article published in April 2011

Evaluation of the aggregation process in a mixture of propofol and benzocaine

scientific article published on 01 February 2019

Exploring microsolvation of the anesthetic propofol.

scientific article published on 22 February 2012

Fermi Resonance and Coriolis Coupling between ν5and 2ν6in CH235ClF

Formation of water polyhedrons in propofol-water clusters.

scientific article

Free internal rotation in CH3–CC–CF3

Furanosic forms of sugars: conformational equilibrium of methyl β-d-ribofuranoside

scientific article published on 15 April 2016

Gas-phase structure of N,N-dimethylglycine.

scientific article

How flexible is the disulfide linker? A combined rotational-computational investigation of diallyl disulfide

scientific article published on 01 September 2019

How trifluoroacetone interacts with water

article

How water interacts with halogenated anesthetics: the rotational spectrum of isoflurane-water

scientific article published on 8 January 2014

Interaction topologies of the S⋯O chalcogen bond: the conformational equilibrium of the cyclohexanol⋯SO2 cluster

scientific article published in 2021

Interactions between alkanes and aromatic molecules: a rotational study of pyridine-methane

scientific article published on 01 July 2014

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

Internal dynamics in halogen-bonded adducts: a rotational study of chlorotrifluoromethane-formaldehyde

scientific article published on 28 January 2015

Internal dynamics of cyclohexanol and the cyclohexanol-water adduct

scientific article published on 01 February 2019

Interplay of phenol and isopropyl isomerism in propofol from broadband chirped-pulse microwave spectroscopy.

scientific article published on September 2010

Inversion of Bicyclic Decanes: Rotational Spectra of the Trans and Double Cis Conformations of 2-Decalone.

scientific article

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

Magic numbers in the solvation of the propofol dimer

scientific article published on 28 March 2013

Microsolvation of Formamide: A Rotational Study

scientific article published on 01 September 2006

Mimicking anaesthetic-receptor interaction: a combined spectroscopic and computational study of propofol···phenol.

scientific article published on 19 April 2012

Mimicking anesthetic-receptor interactions in jets: the propofol-isopropanol cluster

scientific article

Molecular Rotation Spectrum of Tetracyclic Quinolizidines: Observation of trans-Matrine and the Elusive cis-Matrine

scientific article published on 06 January 2021

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 hydration of propofol dimers in supersonic expansions: formation of active centre-like structures.

scientific article

Molecular recognition in the gas phase: benzocaine-phenol as a model of anaesthetic-receptor interaction

scientific article

N-Methyl inversion and structure of six-membered heterocyclic rings: rotational spectrum of 1-methyl-4-piperidone

scientific article published on 14 June 2011

Noble Gas−Metal Chemical Bonds. Microwave Spectra, Geometries, and Nuclear Quadrupole Coupling Constants of Ar−AuCl and Kr−AuCl

article by Corey Evans et al published June 2000 in Journal of the American Chemical Society

Non-bonding interactions and internal dynamics in CH2F2···H2CO: a rotational and model calculations study

scientific article

O-H⋅⋅⋅N and C-H⋅⋅⋅O hydrogen bonds control hydration of pivotal tropane alkaloids: tropinone⋅⋅⋅H(2)O complex

scientific article published on 24 February 2014

On the trimerization of cyanoacetylene: mechanism of formation of tricyanobenzene isomers and laboratory detection of their radio spectra.

scientific article

Potential energy surface of fluoroxene: experiment and theory

scientific article published on 15 January 2016

Probing the C-H⋅⋅⋅π weak hydrogen bond in anesthetic binding: the sevoflurane-benzene cluster

scientific article

Proton Tunneling in Heterodimers of Carboxylic Acids: A Rotational Study of the Benzoic Acid-Formic Acid Bimolecule

scientific article published on 06 December 2012

Pseudorotation in tetrahydrofuran⋯HF heterodimer

article published in 2000

Pseudorotational landscape of seven-membered rings: the most stable chair and twist-boat conformers of ε-caprolactone

scientific article published on 05 September 2014

Ribose found in the gas phase

scientific article published on 28 December 2011

Rotational Spectroscopy and Conformational Flexibility of 2‐Phenylethanethiol: The Dominant S−H⋅⋅⋅π Intramolecular Hydrogen Bond

Rotational Spectrum, Tunneling Motions, and Intramolecular Potential Barriers in Benzyl Mercaptan

scientific article published on 18 September 2019

Rotational spectra of bicyclic decanes: the trans conformation of (-)-lupinine.

scientific article published on 27 September 2013

Rotational spectra of tetracyclic quinolizidine alkaloids: does a water molecule flip sparteine?

scientific article published on 5 May 2017

Rotational spectroscopy of antipyretics: conformation, structure, and internal dynamics of phenazone

scientific article published on 01 March 2013

Rotational spectroscopy of iodobenzene and iodobenzene–neon with a direct digital 2–8GHz chirped-pulse Fourier transform microwave spectrometer

article

Rotational spectroscopy of organophosphorous chemical agents: cresyl and phenyl saligenin phosphates

scientific article published on 23 July 2019

Rotational spectrum, internal rotation barrier and structure of 3,3,3-trifluoropropene

scholarly article by JOSE ALONSO published in July 1997

Rotational spectrum, internal rotation barrier andabinitiocalculations on 1‐chloro‐1‐fluoroethane

scientific article

Scopine Isolated in the Gas Phase.

scientific article

Semiexperimental and mass-dependent structures by the mixed regression method: Accurate equilibrium structure and failure of the Kraitchman method for ethynylcyclohexane

scientific article published in February 2018

Semiexperimental equilibrium structure for the C6 backbone of cis-1,3,5-hexatriene; structural evidence for greater pi-electron delocalization with increasing chain length in polyenes

scientific article

Semiexperimental equilibrium structures for the equatorial conformers of N-methylpiperidone and tropinone by the mixed estimation method.

scientific article

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

scientific article published in March 2005

Shaping micelles: the interplay between hydrogen bonds and dispersive interactions

scientific article published on 10 June 2013

Single hydration of the peptide bond: the case of the Vince lactam

scientific article published on 04 October 2012

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

scientific article

Six-fold-symmetry internal rotation in toluenes: the low barrier challenge of 2,6- and 3,5-difluorotoluene

scientific article published on 22 September 2015

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

scientific article published on 18 September 2014

Structural Studies of Nicotinoids: Cotinine versus Nicotine

scientific article published on 17 February 2017

Structural distortion of the epoxy groups in norbornanes: a rotational study of exo-2,3-epoxynorbornane

scientific article published on 16 July 2015

Structural evidence of anomeric effects in the anesthetic isoflurane

scientific article published on 7 March 2011

Structural studies of biomolecules in the gas phase by chirped-pulse Fourier transform microwave spectroscopy

scientific article

Structure and properties of the (HCl)2H2O cluster observed by chirped-pulse Fourier transform microwave spectroscopy

scientific article published on 08 July 2011

Sulfur Hydrogen Bonding in Isolated Monohydrates: Furfuryl Mercaptan vs. Furfuryl Alcohol.

scientific article published on 15 February 2018

Sulfur hydrogen bonding and internal dynamics in the monohydrates of thenyl mercaptan and thenyl alcohol

scientific article published on 26 May 2020

The Conformational Map of Volatile Anesthetics: Enflurane Revisited

scientific article

The Hydrogen Bond and Beyond: Perspectives for Rotational Investigations of Non-Covalent Interactions

scientific article published on 08 July 2019

The Rotational Spectrum of Chlorofluoromethane

scholarly article

The S-S Bridge: A Mixed Experimental-Computational Estimation of the Equilibrium Structure of Diphenyl Disulfide

scientific article published on 21 December 2018

The centimeter and millimeter microwave spectrum of cyclobutanone

scientific article

The conformational landscape of the volatile anesthetic sevoflurane.

scientific article published on 27 May 2010

The distorted tropane of scopoline

scientific article published on 2 May 2013

The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations

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 interplay of hydrogen bonding and dispersion in phenol dimer and trimer: structures from broadband rotational spectroscopy

scientific article

The microwave spectrum of pentafluoroethane

The millimetre-wave spectrum of oxetane

The millimetre-wave spectrum of trimethylene sulphide Vibration-rotation coupling between thev=2 andv=3 ring-puckering excited states

scientific article

The rotational spectrum of fluorotetraacetylene produced by electric discharge

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

The shape of beta-alanine.

scientific article published in March 2006

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 structure of neutral proline

scientific article

Transition from planar to nonplanar hydrogen bond networks in the solvation of aromatic dimers: propofol2-(H2O)(2-4).

scientific article

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

Unraveling the benzocaine-receptor interaction at molecular level using mass-resolved spectroscopy.

scientific article

Unravelling Protein-DNA Interactions at Molecular Level: A DFT and NCI Study

scientific article published on 27 January 2016

Water encapsulation by nanomicelles

scientific article published on 17 July 2014

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

scientific article published in March 2004

Weak C-H···N and C-H···F hydrogen bonds and internal rotation in pyridine-CH3F

scientific article published on 01 February 2014

List of works by Alberto Lesarri

A DFT-Based Computational-Experimental Methodology for Synthetic Chemistry: Example of Application to the Catalytic Opening of Epoxides by Titanocene.

A butterfly motion of formic acid and cyclobutanone in the 1 : 1 hydrogen bonded molecular cluster

A combined spectroscopic and theoretical study of propofol·(H2O)3.

A molecular-beam Fourier transform microwave study of difluoromethane dimer

A rotational study of laser ablated thiourea

AUTOFIT, an automated fitting tool for broadband rotational spectra, and applications to 1-hexanal

Accurate equilibrium structures for piperidine and cyclohexane

Accurate semiexperimental structure of 1,3,4-oxadiazole by the mixed estimation method.

Axial and equatorial hydrogen bonds: jet-cooled rotational spectrum of the pentamethylene sulfide...hydrogen fluoride complex

Axial-equatorial isomerism and semiexperimental equilibrium structures of fluorocyclohexane.

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

Chiral recognition and atropisomerism in the sevoflurane dimer

Coded amino acids in gas phase: the shape of isoleucine

Combined experimental and theoretical study of the benzocaine/Ar van der Waals system in supersonic expansions.

Competition between weak hydrogen bonds: C-H···Cl is preferred to C-H···F in CH2ClF-H2CO, as revealed by rotational spectroscopy

Conformation and stability of the hydrogen-bonded complex 6-oxabicyclo

Conformational Behavior of d-Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies

Conformational behaviour, hydrogen bond competition and intramolecular dynamics in vanillin derivatives: acetovanillone and 6-hydroxy-3-methoxyacetophenone

Conformational flexibility of mephenesin

Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben

Conformations of alpha-aminobutyric acid in the gas phase.

Detection of SiCCO in the Laboratory ⬇️

Discriminating the structure of exo-2-aminonorbornane using nuclear quadrupole coupling interactions

Evaluation of the aggregation process in a mixture of propofol and benzocaine

Exploring microsolvation of the anesthetic propofol.

Fermi Resonance and Coriolis Coupling between ν5and 2ν6in CH235ClF

Formation of water polyhedrons in propofol-water clusters.

Free internal rotation in CH3–CC–CF3

Furanosic forms of sugars: conformational equilibrium of methyl β-d-ribofuranoside

Gas-phase structure of N,N-dimethylglycine.

How flexible is the disulfide linker? A combined rotational-computational investigation of diallyl disulfide

How trifluoroacetone interacts with water

How water interacts with halogenated anesthetics: the rotational spectrum of isoflurane-water

Interaction topologies of the S⋯O chalcogen bond: the conformational equilibrium of the cyclohexanol⋯SO<sub>2</sub> cluster

Interactions between alkanes and aromatic molecules: a rotational study of pyridine-methane

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

Internal dynamics in halogen-bonded adducts: a rotational study of chlorotrifluoromethane-formaldehyde

Internal dynamics of cyclohexanol and the cyclohexanol-water adduct

Interplay of phenol and isopropyl isomerism in propofol from broadband chirped-pulse microwave spectroscopy.

Inversion of Bicyclic Decanes: Rotational Spectra of the Trans and Double Cis Conformations of 2-Decalone.

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

Magic numbers in the solvation of the propofol dimer

Microsolvation of Formamide: A Rotational Study

Mimicking anaesthetic-receptor interaction: a combined spectroscopic and computational study of propofol···phenol.

Mimicking anesthetic-receptor interactions in jets: the propofol-isopropanol cluster

Molecular Rotation Spectrum of Tetracyclic Quinolizidines: Observation of <i>trans</i>-Matrine and the Elusive <i>cis</i>-Matrine

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 hydration of propofol dimers in supersonic expansions: formation of active centre-like structures.

Molecular recognition in the gas phase: benzocaine-phenol as a model of anaesthetic-receptor interaction

N-Methyl inversion and structure of six-membered heterocyclic rings: rotational spectrum of 1-methyl-4-piperidone

Noble Gas−Metal Chemical Bonds. Microwave Spectra, Geometries, and Nuclear Quadrupole Coupling Constants of Ar−AuCl and Kr−AuCl

Non-bonding interactions and internal dynamics in CH2F2···H2CO: a rotational and model calculations study

O-H⋅⋅⋅N and C-H⋅⋅⋅O hydrogen bonds control hydration of pivotal tropane alkaloids: tropinone⋅⋅⋅H(2)O complex

On the trimerization of cyanoacetylene: mechanism of formation of tricyanobenzene isomers and laboratory detection of their radio spectra.

Potential energy surface of fluoroxene: experiment and theory

Probing the C-H⋅⋅⋅π weak hydrogen bond in anesthetic binding: the sevoflurane-benzene cluster

Proton Tunneling in Heterodimers of Carboxylic Acids: A Rotational Study of the Benzoic Acid-Formic Acid Bimolecule

Pseudorotation in tetrahydrofuran⋯HF heterodimer

Pseudorotational landscape of seven-membered rings: the most stable chair and twist-boat conformers of ε-caprolactone

Ribose found in the gas phase

Rotational Spectroscopy and Conformational Flexibility of 2‐Phenylethanethiol: The Dominant S−H⋅⋅⋅π Intramolecular Hydrogen Bond

Rotational Spectrum, Tunneling Motions, and Intramolecular Potential Barriers in Benzyl Mercaptan

Rotational spectra of bicyclic decanes: the trans conformation of (-)-lupinine.

Rotational spectra of tetracyclic quinolizidine alkaloids: does a water molecule flip sparteine?

Rotational spectroscopy of antipyretics: conformation, structure, and internal dynamics of phenazone

Rotational spectroscopy of iodobenzene and iodobenzene–neon with a direct digital 2–8GHz chirped-pulse Fourier transform microwave spectrometer

Rotational spectroscopy of organophosphorous chemical agents: cresyl and phenyl saligenin phosphates

Rotational spectrum, internal rotation barrier and structure of 3,3,3-trifluoropropene

Rotational spectrum, internal rotation barrier andabinitiocalculations on 1‐chloro‐1‐fluoroethane

Scopine Isolated in the Gas Phase.

Semiexperimental and mass-dependent structures by the mixed regression method: Accurate equilibrium structure and failure of the Kraitchman method for ethynylcyclohexane

Semiexperimental equilibrium structure for the C6 backbone of cis-1,3,5-hexatriene; structural evidence for greater pi-electron delocalization with increasing chain length in polyenes

Semiexperimental equilibrium structures for the equatorial conformers of N-methylpiperidone and tropinone by the mixed estimation method.

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

Shaping micelles: the interplay between hydrogen bonds and dispersive interactions

Single hydration of the peptide bond: the case of the Vince lactam

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

Six-fold-symmetry internal rotation in toluenes: the low barrier challenge of 2,6- and 3,5-difluorotoluene