Lista de obras - Alberto Lesarri - Dominio Público Uruguay

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

artículo científico publicado en 2017

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

artículo científico publicado en 2016

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

artículo científico publicado en 2012

A molecular-beam Fourier transform microwave study of difluoromethane dimer

A rotational study of laser ablated thiourea

artículo científico publicado en 2004

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

artículo científico publicado en 2015

Accurate equilibrium structures for piperidine and cyclohexane

artículo científico publicado en 2014

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

artículo científico publicado en 2013

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

artículo científico publicado en 2002

Axial-equatorial isomerism and semiexperimental equilibrium structures of fluorocyclohexane.

artículo científico publicado en 2017

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

artículo científico publicado en 2004

Chiral recognition and atropisomerism in the sevoflurane dimer

artículo científico publicado en 2015

Coded amino acids in gas phase: the shape of isoleucine

artículo científico publicado en 2005

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

artículo científico publicado en 2009

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

artículo científico publicado en 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

artículo científico publicado en 2011

Conformational flexibility of mephenesin

artículo científico publicado en 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.

artículo científico publicado en 2006

Detection of SiCCO in the Laboratory ⬇️

artículo científico publicado en 2005

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

artículo científico publicado en 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.

artículo científico publicado en 2012

Fermi Resonance and Coriolis Coupling between ν5and 2ν6in CH235ClF

Formation of water polyhedrons in propofol-water clusters.

artículo científico publicado en 2012

Free Fructose Is Conformationally Locked ⬇️

artículo científico publicado el 7 de febrero de 2013

Free internal rotation in CH3–CC–CF3

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

artículo científico publicado en 2016

Gas-phase structure of N,N-dimethylglycine.

artículo científico publicado en 2005

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

artículo científico publicado en 2019

How trifluoroacetone interacts with water

article

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

artículo científico publicado en 2014

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

artículo científico publicado en 2021

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

artículo científico publicado en 2014

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

artículo científico publicado en 2005

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

artículo científico publicado en 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.

artículo científico publicado en 2010

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

artículo científico publicado en 2017

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

artículo científico publicado en 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.

artículo científico publicado en 2012

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

artículo científico publicado en 2014

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

artículo científico publicado en 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.

artículo científico publicado en 2014

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

artículo científico publicado en 2009

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

artículo científico publicado en 2013

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

artículo científico publicado en 2014

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

artículo científico publicado en 2010

Potential energy surface of fluoroxene: experiment and theory

artículo científico publicado en 2016

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

artículo científico publicado en 2014

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

artículo científico publicado en 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

artículo científico publicado en 2014

Ribose found in the gas phase

artículo científico publicado en 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.

artículo científico publicado en 2013

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

artículo científico publicado en 2017

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

artículo científico publicado en 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

artículo científico publicado en 1996

Scopine Isolated in the Gas Phase.

artículo científico publicado en 2016

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

artículo científico publicado en 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

artículo científico publicado en 2009

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

artículo científico publicado en 2012

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

artículo científico publicado en 2005

Shaping micelles: the interplay between hydrogen bonds and dispersive interactions

artículo científico publicado en 2013

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

artículo científico publicado en 2012

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

artículo científico publicado en 2013

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

artículo científico publicado en 2015

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

artículo científico publicado en 2014

Structural Studies of Nicotinoids: Cotinine versus Nicotine

artículo científico publicado en 2017

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

artículo científico publicado en 2015

Structural evidence of anomeric effects in the anesthetic isoflurane

artículo científico publicado en 2011

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

artículo científico publicado en 2011

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

artículo científico publicado en 2011

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

artículo científico publicado en 2018

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

artículo científico publicado en 2020

The Conformational Map of Volatile Anesthetics: Enflurane Revisited

artículo científico publicado en 2016

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

artículo científico publicado en 2018

The centimeter and millimeter microwave spectrum of cyclobutanone

artículo científico publicado en 1992

The conformational landscape of the volatile anesthetic sevoflurane.

artículo científico publicado en 2010

The distorted tropane of scopoline

artículo científico publicado en 2013

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

artículo científico publicado en 2016

The gas-phase structure of alanine

artículo científico publicado en 2004

The glycine-water complex

artículo científico publicado en 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

artículo científico publicado en 2005

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

artículo científico publicado en 2013

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

artículo científico publicado en 1994

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.

artículo científico publicado en 2006

The shape of leucine in the gas phase

artículo científico publicado en 2007

The shape of neutral sarcosine in gas phase

The shape of neutral valine

artículo científico publicado en 2004

The structure of neutral proline

artículo científico publicado en 2002

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

artículo científico publicado en 2013

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.

artículo científico publicado en 2013

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

artículo científico publicado en 2016

Water encapsulation by nanomicelles

artículo científico publicado en 2014

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

artículo científico publicado en 2004

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

artículo científico publicado en 2014

Lista de obras de 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 Fructose Is Conformationally Locked ⬇️

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.