Publicaciones
Relación de publicaciones:
Se lista a continuación una selección de publicaciones del grupo desde 2016. Debido a que es una lista incompleta, ciertas publicaciones relevantes se han descrito por separado en el enlace Publicaciones destacadas.
- 2023
Investigating mechanisms of state localization in highly ionized dense plasmas, Physical Review E, 108, 035210 (2023).
Phase imaging of irradiated foils at the OMEGA EP facility using phase-stepping X-ray Talbot–Lau deflectometry, High Power Laser Science and Engineering, 11, e49 (2023).
Ionization disequilibrium in K- and L-shell ions, Physics of Plasmas, 30, 073303 (2023).
π-Stacking Isomerism in Polycyclic Aromatic Hydrocarbons: The 2-Naphthalenethiol Dimer, Journal of Physical Chemistry Letters, 14, 1 (2023)
- 2022
Measuring He i Stark Line Shapes in the Laboratory to Examine Differences in Photometric and Spectroscopic DB White Dwarf Masses, The Astrophysical Journal, 940 181 (2022).
Cylindrical implosion platform for the study of highly magnetized plasmas at Laser MegaJoule, Physical Review E, 106, 035206 (2022).
TIA: A forward model and analyzer for Talbot interferometry experiments of dense plasmas, Physics of Plasmas, 29, 043901 (2022).
Exploring extreme magnetization phenomena in directly driven imploding cylindrical targets, Plasma Physics and Controlled Fusion, 64, 025007 (2022).
Current advances on Talbot-Lau x-ray imaging diagnostics for high energy density experiments (invited), Review of Scientific Instruments, 93, 115102 (2022).
X-ray imaging and radiation transport effects on cylindrical implosions, Review of Scientific Instruments, 93, 113542 (2022).
Exploring the Influence of Intermolecular Interactions in Prebiotic Chemistry Using Laser Spectroscopy and Calculations, Chemistry – A European Journal, 28, 1 (2022).
The Shapes of Sulfonamides: A Rotational Spectroscopy Study, Molecules, 27, 9 (2022).
Bond Length Alternation and Internal Dynamics in Model Aromatic Substituents of Lignin, ChemPhysChem, 23, 6 (2022).
The evolution towards cyclic structures in the aggregation of aromatic alcohols: the dimer, trimer and tetramer of 2-phenylethanol, Physical Chemistry Chemical Physics, 24, 40 (2022).
Microhydration of Phenyl Formate: Gas-Phase Laser Spectroscopy, Microwave Spectroscopy, and Quantum Chemistry Calculations, ChemPhysChem, 23, 24 (2022).
The First Stages of Nanomicelle Formation Captured in the Sevoflurane Trimer, Journal of Physical Chemistry Letters, 13, 16 (2022).
Hydrogen Bonding in the Dimer and Monohydrate of 2-Adamantanol: A Test Case for Dispersion-Corrected Density Functional Methods, Molecules, 27(8), 2584 (2022).
Torsional chirality and molecular recognition: the homo and heterochiral dimers of thenyl and furfuryl alcohol, Physical Chemistry Chemical Physics, 24, 15 (2022).
Chirality-Puckering correlation and intermolecular interactions in Sphingosines: Rotational spectroscopy of jaspine B3 and its monohydrate, Spectrochimica Acta Part A – Molecular and Biomolecular Spectroscopy, 267, 2 (2022).
Water binding to the atmospheric oxidation product methyl vinyl ketone, Spectrochimica Acta Part A – Molecular and Biomolecular Spectroscopy, 270, 120846 (2022).
Rotational spectroscopy of the large saturated dinitriles hexanedinitrile and heptanedinitrile, Spectrochimica Acta Part A – Molecular and Biomolecular Spectroscopy, 270, 120844 (2022).
- 2021
Demonstration of Geometric Effects and Resonant Scattering in the X-Ray Spectra of High-Energy-Density Plasmas, Physical Review Letters, 126, 085001 (2021).
A laser-plasma platform for photon-photon physics: the two photon Breit-Wheeler process, New Journal of Physics, 23 115006 (2021).
Experimental transition probabilities and oscillator strengths of doubly ionised krypton in the ultraviolet region, Journal of Quantitative Spectroscopy and Radiative Transfer, 271, 107703 (2021).
Measurement of L-shell emission from mid-Z targets under non-LTE conditions using Transmission Grating Spectrometer and DANTE power diagnostics, Review of Scientific Instruments, 92, 033502 (2021).
Stark-Broadening of Ar K-Shell Lines: A Comparison between Molecular Dynamics Simulations and MERL Results, Atoms, 9(1), 9 (2021).
Structure and dynamics of methacrylamide, a computational and free-jet rotational spectroscopic study, Journal of Molecular Structure, 1248, 131391 (2021).
Characterizing hydrogen and tetrel bonds in clusters of CO2 with carboxylic acids, Physical Chemistry Chemical Physics, 23, 31 (2021).
The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane, Angewandte Chemie International Edition, 60, 31 (2021).
Characterizing the lone pair⋯π-hole interaction in complexes of ammonia with perfluorinated arenes, Physical Chemistry Chemical Physics, 23, 15 (2021).
Laboratory Observation of, Astrochemical Search for, and Structure of Elusive Erythrulose in the Interstellar Medium, Journal of Physical Chemistry Letters, 12, 4 (2021).
Molecular Recognition, Transient Chirality and Sulfur Hydrogen Bonding in the Benzyl Mercaptan Dimer, Symmetry – Basel, 13(11), 2022 (2021).
Rovibronic signatures of molecular aggregation in the gas phase: subtle homochirality trends in the dimer, trimer and tetramer of benzyl alcohol, Physical Chemistry Chemical Physics, 23, 41 (2021).
Chirality, structure and hydrogen bonding in dithiols: Rotational spectrum of the chiral and meso 2,3-butanedithiol, Journal of Molecular Structure, 1246, 131221 (2021).
How accurate is the determination of equilibrium structures for van der Waals complexes? The dimer N2O···CO as an example, The Journal of Chemical Physics, 154, 194302 (2021).
Interaction topologies of the S center dot center dot center dot O chalcogen bond: the conformational equilibrium of the cyclohexanol center dot center dot center dot SO2 cluster, Physical Chemistry Chemical Physics, 23, 18 (2021).
Internal rotation and chlorine nuclear quadrupole coupling in 2-chloro-4-fluorotoluene explored by microwave spectroscopy and quantum chemistry, Spectrochimica Acta Part A – Molecular and Biomolecular Spectroscopy, 247, 119120 (2021).
Switching Hydrogen Bonding to pi-Stacking: The Thiophenol Dimer and Trimer, Journal of Physical Chemistry Letters, 12, 5 (2021).
Molecular Rotation Spectrum of Tetracyclic Quinolizidines: Observation of trans-Matrine and the Elusive cis-Matrine, Journal of Organic Chemistry, 86, 2 (2021).
Exploring Epigenetic Marks by Analysis of Noncovalent Interactions, ChemBioChem, 22, 2 (2021).
Rotational spectrum and internal dynamics of the hydrogen-bonded pyrrole-pyridine aromatic pair, Spectrochimica Acta Part A – Molecular and Biomolecular Spectroscopy, 249, 119320 (2021).
Geminal Diol Formation from the Interaction of a Ketone with Water in the Gas Phase: Structure and Reactivity of Cyclooctanone-(H2O)1,2 Clusters, Journal of Physical Chemistry Letters, 12, 51 (2021).
New Insights into Secondary Organic Aerosol Formation: Water Binding to Limonene, Journal of Physical Chemistry Letters, 12, 3 (2021).
- 2020
X-ray Spectroscopic Studies of a Solid-Density Germanium Plasma Created by a Free Electron Laser, Applied Sciences, 10(22), 8153 (2020).
A novel method to measure ion density in ICF experiments using x-ray spectroscopy of cylindrical tracers, Physics of Plasmas, 27, 112714 (2020).
Measuring the oscillator strength of intercombination lines of helium-like V ions in a laser-produced-plasma, Journal of Quantitative Spectroscopy and Radiative Transfer, 256, 107326 (2020).
White dwarf pollution by hydrated planetary remnants: hydrogen and metals in WDJ204713.76-125908.9, Monthly Notices of the Royal Astronomical Society, 499, 1 (2020).
Hydrodynamic conditions in laser irradiated buried layer experiments, Physics of Plasmas, 27, 063301 (2020).
Exploration of the theobromine-water dimer: comparison with DNA microhydration, Physical Chemistry Chemical Physics, 22, 27 (2020).
Chlorination and tautomerism: a computational and UPS/XPS study of 2-hydroxypyridine ⇌ 2-pyridone equilibrium, Physical Chemistry Chemical Physics, 22, 24 (2020).
Conformational impact of the aliphatic side chain in local anaesthetics: benzocaine, butamben and isobutamben, Chemical Communications, 56, 45 (2020).
Millimeter wave free-jet spectrum of acrolein and several isotopologues, Canadian Journal of Physics, 98, 6 (2020).
Structure, Dynamics, and Accurate Laboratory Rotational Frequencies of the Acrylonitrile-Methanol Complex, Journal of Physical Chemistry A, 124, 18 (2020).
Millimeter wave free-jet spectrum of the isotopologues of 1,2-butanediol, Journal of Molecular Structure, 1205, 127643 (2020).
Observation of the Unbiased Conformers of Putative DNA-Scaffold Ribosugars, ACS Central Science, 6, 2 (2020).
Rotational spectrum and intramolecular hydrogen bonding in 1,2-butanedithiol, Journal of Molecular Structure, 1211, 128080 (2020).
Sulfur hydrogen bonding and internal dynamics in the monohydrates of thenyl mercaptan and thenyl alcohol, Physical Chemistry Chemical Physics, 22, 22 (2020).
The Six Isomers of the Cyclohexanol Dimer: A Delicate Test for Dispersion Models, Angewandte Chemie International Edition, 59, 33 (2020).
Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben, Chemical Communications, 56, 45 (2020).
Halogen bond and internal dynamics in the sigma-complex of pyridine-chlorotrifluoromethane: A rotational study, Journal of Molecular Spectroscopy, 371, 111323 (2020).
Rotational spectra of van der Waals complexes: pyrrole-Ne and pyrrole-Ne-2, Physical Chemistry Chemical Physics, 22, 44 (2020).
Structural and dynamical features of the 2,2,2-trifluoroethanol⋯ammonia complex, Physical Chemistry Chemical Physics, 22, 40 (2020).
- 2019
Radiation transfer in cylindrical, toroidal and hemi-ellipsoidal plasmas, Journal of Quantitative Spectroscopy and Radiative Transfer, 235 (2019).
Laboratory measurements of geometrical effects in the x-ray emission of optically thick lines for ICF diagnostics, Physics of Plasmas, 26, 063302 (2019).
The use of geometric effects in diagnosing ion density in ICF-related dot spectroscopy experiments, High Energy Density Physics, 30 (2019).
Recent advances in experimental laboratory astrophysics for stellar astrophysics applications and future data needs, Proceedings of the International Astronomical Union, 15(S350) (2019).
Atmospherically relevant acrolein-water complexes: spectroscopic evidence of aldehyde hydration and oxygen atom exchange, Physical Chemistry Chemical Physics, 21, 42 (2019)
Laboratory Measurements and Astronomical Search for Thioacetamide, ACS Earth and Space Chemistry, 3, 8 (2019).
Bond Length Alternation Observed Experimentally: The Case of 1H-Indazole, Chemistry – A European Journal, 25, 43 (2019).
Conformational Behavior of D-Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies, Journal of Physical Chemistry Letters, 10, 12 (2019).
A General Treatment to Study Molecular Complexes Stabilized by Hydrogen-, Halogen-, and Carbon-Bond Networks: Experiment and Theory of (CH2F2)n⋅⋅⋅(H2O)m, Angewandte Chemie International Edition, 58, 25 (2019).
Exploring Caffeine-Phenol Interactions by the Inseparable Duet of Experimental and Theoretical Data, Chemistry – A European Journal, 25, 62 (2019).
Rotational Spectrum, Tunneling Motions, and Intramolecular Potential Barriers in Benzyl Mercaptan, Journal of Physical Chemistry A, 123, 39 (2019).
How flexible is the disulfide linker? A combined rotational-computational investigation of diallyl disulfide, Physical Chemistry Chemical Physics, 21, 36 (2019).
Rotational spectroscopy of organophosphorous chemical agents: cresyl and phenyl saligenin phosphates, Physical Chemistry Chemical Physics, 21, 30 (2019).
The Hydrogen Bond and Beyond: Perspectives for Rotational Investigations of Non-Covalent Interactions, Chemistry – A European Journal, 25, 49 (2019).
Molecular systems with nearly-free internal rotation and nuclear quadrupole coupling: Meta-chlorotoluene, Journal of Molecular Spectroscopy, 361 (2019).
Conformational Behavior of D-Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies, Journal of Physical Chemistry Letters, 10, 12, 3339–3345 (2019).
An Efficient Microkinetic Modeling Protocol: Start with Only the Dominant Mechanisms, Adjust All Parameters, and Build the Complete Model Incrementally, ACS Catalysis, 9, 6 (2019).
Internal dynamics of cyclohexanol and the cyclohexanol-water adduct, Physical Chemistry Chemical Physics, 21, 7 (2019).
Evaluation of the aggregation process in a mixture of propofol and benzocaine, Physical Chemistry Chemical Physics, 21, 7 (2019).
The S-S Bridge: A Mixed Experimental-Computational Estimation of the Equilibrium Structure of Diphenyl Disulfide, ChemPhysChem, 20, 3 (2019).
Medium-sized rings: conformational preferences in cyclooctanone driven by transannular repulsive interactions, Physical Chemistry Chemical Physics, 21, 8 (2019).
The role of secondary interactions on the preferred conformers of the fenchone-ethanol complex, Physical Chemistry Chemical Physics, 21, 6 (2019).
The Shape of the Simplest Non-proteinogenic Amino Acid alpha-Aminoisobutyric Acid (Aib), Chemistry – A European Journal, 25, 9 (2019).
- 2018
Developing an Experimental Basis for Understanding Transport in NIF Hohlraum Plasmas, Physical Review Letters, 121, 095002 (2018).
Classical molecular dynamics simulations of hydrogen plasmas and development of an analytical statistical model for computational validity assessment, Physical Review E, 98, 033307 (2018).
Laser-driven strong magnetostatic fields with applications to charged beam transport and magnetized high energy-density physics, Physics of Plasmas, 25, 056705 (2018).
Revisiting the Stark Width and Shift of He II P alpha, Atoms, 6(2), 23 (2018).
The Laboratory Astrophysics Spectroscopy Programme at Imperial College London, Galaxies, 6, 4 (2018).
Accurate atomic data for Galactic Surveys, Proceedings of the International Astronomical Union, 12(S330) (2018).
ALICE: A non-LTE plasma atomic physics, kinetics and lineshape package, High Energy Density Physics, 26 (2018).
Kinetic Monte Carlo simulation for semiconductor processing: A review, Progress in Materials Science, 2018, 92, 1.
Millimeter-wave spectroscopy and modeling of 1,2-butanediol Laboratory spectrum in the 59.6-103.6 GHz region and comparison with the ALMA archived observations, Astronomy and Astrophysics, 619, A140 (2018).
Shapes, Dynamics, and Stability of β-lonone and Its Two Mutants Evidenced by High-Resolution Spectroscopy in the Gas Phase, Journal of Physical Chemistry Letters, 9, 7 (2018).
Rotational Spectrum and Conformational Analysis of N-Methyl-2-Aminoethanol: Insights into the Shape of Adrenergic Neurotransmitters, Frontiers in Chemistry, 6, 25 (2018).
Isomerism of the Aniline Trimer, Angewandte Chemie – International Edition, 57, 46 (2018).
Stepwise Nucleation of Aniline: Emergence of Spectroscopic Fingerprints of the Liquid Phase, Chemistry – A European Journal, 24, 41 (2018).
Internal rotation in halogenated toluenes: Rotational spectrum of 2,3-difluorotoluene, Journal of Molecular Spectroscopy, 349 (2018).
Sulfur Hydrogen Bonding in Isolated Monohydrates: Furfuryl Mercaptan versus Furfuryl Alcohol, Chemistry – A European Journal, 24, 25 (2018).
Semiexperimental and mass-dependent structures by the mixed regression method: Accurate equilibrium structure and failure of the Kraitchman method for ethynylcyclohexane, Journal of Chemical Physics, 2018, 168, 64306.
The low internal rotation barriers of halogenated toluenes: Rotational spectrum of 2,4-difluorotoluene, Journal of Molecular Spectroscopy, 344 (2018).
Laboratory rotational spectrum and astronomical search for methoxyacetaldehyde, Astronomy and Astrophysics, 619, A67 (2018).
The Multiple Hydrogen-Bonding Networks of Polyol Ribitol, Chemistry – A European Journal, 24, 51 (2018).
The last link of the x-aminobutyric acid series: the five conformers of beta-aminobutyric acid, Physical Chemistry Chemical Physics, 20, 22 (2018).
- 2017
Fe I Oscillator Strengths for Transitions from High-lying Odd-parity Levels, The Astrophysical Journal, 848, 125 (2017).
Lifetime measurements and oscillator strengths in singly ionized scandium and the solar abundance of scandium, Monthly Notices of the Royal Astronomical Society, 472, 3 (2017).
Structure and dynamics of cyclic amides: The rotational spectrum of 1,3-dimethyl-2-imidazolidinone, Journal of Molecular Spectroscopy, 342 (2017).
The microwave spectroscopy study of 1,2-dimethoxyethane, Journal of Molecular Spectroscopy, 337 (2017).
Effects of Chlorination on the Tautomeric Equilibrium of 2-Hydroxypyridine: Experiment and Theory, Chemistry – A European Journal, 23, 15 (2017).
Regarding the torsional flexibility of the dihydrolipoic acid’s pharmacophore: 1,3-propanedithiol, Physical Chemistry Chemical Physics, 19, 1 (2017).
A DFT-Based Computational-Experimental Methodology for Synthetic Chemistry: Example of Application to the Catalytic Opening of Epoxides by Titanocene, Journal of Organic Chemistry, 2017, 82, 3760.
Rotational spectra of tetracyclic quinolizidine alkaloids: does a water molecule flip sparteine?, Physical Chemistry Chemical Physics, 2017, 19, 17753.
Inversion of Bicyclic Decanes: Rotational Spectra of the Trans and Double Cis Conformations of 2-Decalone, ChemPhysChem, 2017, 15, 3620.
N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine, Chemistry – A European Journal, 2017, 21, 16412.
A DFT-Based Computational-Experimental Methodology for Synthetic Chemistry: Example of Application to the Catalytic Opening of Epoxides by Titanocene, Journal of Organic Chemistry, 2017, 82, 3760.
Internal rotation in halogenated toluenes: Rotational spectrum of 2,5-difluorotoluene, Journal of Molecular Spectroscopy, 2017, 337, 46
Structural Studies of Nicotinoids: Cotinine versus Nicotine, Chemistry – A European Journal, 2017, 23, 7238.
Axial–equatorial isomerism and semiexperimental equilibrium structures of fluorocyclohexane, Physical Chemistry Chemical Physics, 2017, 29, 19162.
A butterfly motion of formic acid and cyclobutanone in the 1 : 1 hydrogen bonded molecular cluster, Physical Chemistry Chemical Physics, 2017, 19, 204.
Ethanol dimer: Observation of three new conformers by broadband rotational spectroscopy, Journal of Molecular Spectroscopy, 335 (2017).
- 2016
EXPERIMENTALLY MEASURED RADIATIVE LIFETIMES AND OSCILLATOR STRENGTHS IN NEUTRAL VANADIUM, The Astrophysical Journal Supplement Series, 224, 35 (2016).
Experimental Stark halfwidths of the ionized oxygen and silicon spectral lines, Monthly Notices of the Royal Astronomical Society, 457, 4 (2016).
Kr II transition probability measurements for the UV spectral region, Monthly Notices of the Royal Astronomical Society, 456, 1 (2016).
Ti-Mediated Efficient Reductive Dehalogenation of Carbon– Halogen Bonds, Asian Journal of Organic Chemistry, 2016, 5, 991.
Process Simulation: Kinetic Monte Carlo, Reference Module in Materials Science and Materials Engineering, 2016.
Effects of Fluorine Substitution on the Microsolvation of Aromatic Azines: The Microwave Spectrum of 3-Fluoropyridine-Water, Journal of Physical Chemistry A, 120, 27 (2016).
Conformational Equilibrium and Internal Dynamics of E-Anethole: A Rotational Study, Journal of Physical Chemistry B, 120, 27 (2016).
Probing the Lone Pair···π-Hole Interaction in Perfluorinated Heteroaromatic Rings: The Rotational Spectrum of Pentafluoropyridine center dot Water, Journal of Physical Chemistry Letters, 7, 8 (2016).
Solving the Tautomeric Equilibrium of Purine through Analysis of the Complex Hyperfine Structure of the Four N-14 Nuclei, Journal of Physical Chemistry Letters, 7, 7 (2016).
Unravelling Protein-DNA Interactions at Molecular Level: A DFT and NCI Study, Journal of Chemical Theory and Computation, 2016, 12, 523.
The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations, Physical Chemistry Chemical Physics, 2016, 18, 15555.
The Conformational Map of Volatile Anesthetics: Enflurane Revisited, Chemistry- A European Journal, 2016, 22, 9804.
Scopine Isolated in the Gas Phase, Chemphyschem, 2016, 17, 3030.
Potential energy surface of fluoroxene: experiment and theory, Physical Chemistry Chemical Physics, 2016, 18, 3966.
Intermolecular Hydrogen Bonding in 2-Fluoropyridine-Water, Chemistry Select, 1, 1273 (2016).
Furanosic forms of sugars: conformational equilibrium of methyl beta-D-ribofuranoside, Chemical Communications, 52, 6241 (2016).
Sweet Structural Signatures Unveiled in Ketohexoses, Chemistry – A European Journal, 22, 47 (2016).
HIGH-RESOLUTION ROTATIONAL SPECTRUM, DUNHAM COEFFICIENTS, AND POTENTIAL ENERGY FUNCTION OF NaCl, The Astrophysical Journal, 825, 2 (2016).
A rotating spiral structure in the innermost regions around IRC+10216, Journal of Physics Conference Series, 728, 2 (2016).
Intramolecular interactions in the polar headgroup of sphingosine: serinol, Chemical Communications, 52, 18 (2016).
Structural Expression of Exo-Anomeric Effect, Journal of Physical Chemistry Letters, 7, 5 (2016).
HINTS OF A ROTATING SPIRAL STRUCTURE IN THE INNERMOST REGIONS AROUND IRC+10216, The Astrophysical Journal, 818, 2 (2016).