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List of works by Emilio J. Cocinero

'Naked' and hydrated conformers of the conserved core pentasaccharide of N-linked glycoproteins and its building blocks

scientific article

A General Treatment to Study Molecular Complexes Stabilized by Hydrogen-, Halogen-, and Carbon-Bond Networks: Experiment and Theory of (CH2 F2 )n ⋅⋅⋅(H2 O)m

scientific article published on 16 May 2019

A Spectroscopic Approach to the Solvation of Anesthetics in Jets: Propofol(H2O)n, n = 4–6 ⬇️

scientific article published on August 30, 2012

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

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

Bond Length Alternation Observed Experimentally: The Case of 1H-Indazole

scientific article published on 04 July 2019

Carbohydrate hydration: heavy water complexes of α and β anomers of glucose, galactose, fucose and xylose

scientific article published on 26 September 2011

Carbohydrate-aromatic interactions: vibrational spectroscopy and structural assignment of isolated monosaccharide complexes with p-hydroxy toluene and N-acetyl l-tyrosine methylamide.

scientific article published on 28 June 2013

Carbohydrates

scientific article published on 01 January 2015

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

Competing Dispersive Interactions: From Small Energy Differences to Large Structural Effects in Methyl Jasmonate and Zingerone

scientific article published on 27 September 2018

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

article

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 choice and selectivity in singly and multiply hydrated monosaccharides in the gas phase

scientific article published in January 2008

Conformational equilibria in vanillin and ethylvanillin.

scientific article published on 19 August 2010

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

Conformational steering in dicarboxy acids: the native structure of succinic acid

scientific article published on 13 March 2015

Conformations of alpha-aminobutyric acid in the gas phase.

scientific article

Degradation Mechanism and Relative Stability of Methylammonium Halide Based Perovskites Analyzed on the Basis of Acid-Base Theory

scientific article published on 19 March 2019

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

scientific article published in April 2011

Effects of Chlorination on the Tautomeric Equilibrium of 2-Hydroxypyridine: Experiment and Theory

scientific article published on 29 December 2016

Exploring carbohydrate-peptide interactions in the gas phase: structure and selectivity in complexes of pyranosides with N-acetylphenylalanine methylamide

scientific article published on 04 March 2011

Exploring microsolvation of the anesthetic propofol.

scientific article published on 22 February 2012

Formation of water polyhedrons in propofol-water clusters.

scientific article

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

Halogen-Halogen Links and Internal Dynamics in Adducts of Freons

scientific article published on 18 April 2014

High conductance values in π-folded molecular junctions

scientific article

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

scientific article published on 8 January 2014

Hydration of sugars in the gas phase: regioselectivity and conformational choice in N-acetyl glucosamine and glucose.

scientific article published in December 2009

Influence of the Anomeric Conformation in the Intermolecular Interactions of Glucose.

scientific article

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

scientific article published on 01 July 2014

Interactions between azines and alcohols: a rotational study of pyridine-tert-butyl alcohol

scientific article published on 01 February 2019

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

scientific article published on 28 January 2015

Investigating the Conformation of the Bridged Monosaccharide Levoglucosan

scientific article published on 12 February 2018

Isotopic hydration of cellobiose: vibrational spectroscopy and dynamical simulations

scientific article

Magic numbers in the solvation of the propofol dimer

scientific article published on 28 March 2013

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

Modeling the tyrosine-sugar interactions in supersonic expansions: glucopyranose-phenol clusters

scientific article

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 Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine.

scientific article published on 31 July 2017

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

scientific article published on 14 June 2011

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

Peptide secondary structures in the gas phase: consensus motif of N-linked glycoproteins

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

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

scientific article published on 27 September 2013

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

scientific article published on 01 March 2013

Scopine Isolated in the Gas Phase.

scientific article

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

scientific article

Sensing the anomeric effect in a solvent-free environment.

scientific article

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

scientific article published in March 2005

Shapes, Dynamics, and Stability of β-Ionone and Its Two Mutants Evidenced by High-Resolution Spectroscopy in the Gas Phase

scientific article published on 09 March 2018

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

Solvent interactions and conformational choice in a core N-glycan segment: gas phase conformation of the central, branching trimannose unit and its singly hydrated complex

scientific article published on 17 July 2008

Solving the Tautomeric Equilibrium of Purine through Analysis of the Complex Hyperfine Structure of the Four (14)N Nuclei

scientific article published on 10 March 2016

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

The Conformational Map of Volatile Anesthetics: Enflurane Revisited

scientific article

The building blocks of cellulose: the intrinsic conformational structures of cellobiose, its epimer, lactose, and their singly hydrated complexes.

scientific article

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 glycine-water complex

scientific article published on 01 May 2006

The halogen bond and internal dynamics in the molecular complex of CF3Cl and H2O

article

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

scientific article published on 01 October 2005

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

Understanding the role of tyrosine in glycogenin

scientific article published on 01 August 2017

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 Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition

scientific article published on 30 July 2018

Water encapsulation by nanomicelles

scientific article published on 17 July 2014

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

scientific article published on 01 February 2014

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