Lista de obras - Mikko Hakala - Dominio Público Uruguay

Anomalous Energetics in Tetrahydrofuran Clathrate Hydrate Revealed by X-ray Compton Scattering

article

Calculation of isotropic Compton profiles with Gaussian basis sets

artículo científico publicado en 2011

Charge localization in alcohol isomers studied by Compton scattering.

artículo científico publicado en 2009

Completeness-optimized basis sets: application to ground-state electron momentum densities.

artículo científico publicado en 2012

Compton scattering study of water versus iceIh: Intra- and intermolecular structure

scientific article published on 25 September 2006

Configurational Energetics in IceIhProbed by Compton Scattering

artículo científico publicado en 2007

Contraction of completeness-optimized basis sets: application to ground-state electron momentum densities

scientific article published on 01 January 2013

Correlation of hydrogen bond lengths and angles in liquid water based on Compton scattering.

artículo científico publicado en 2006

Crystal-field excitations in NiO under high pressure studied by resonant inelastic x-ray scattering

scientific article published on 11 March 2014

Density functional simulation of resonant inelastic X-ray scattering experiments in liquids: acetonitrile.

artículo científico publicado en 2016

ERKALE-A flexible program package for X-ray properties of atoms and molecules

artículo científico publicado en 2012

Effect of the hydrophobic alcohol chain length on the hydrogen-bond network of water

Experimental and computational study of crystalline formic acid composed of the higher-energy conformer

scientific article published on 01 February 2011

Gold as intermolecular glue: a predicted planar triaurotriazine, C3Au3N3, isomer of gold cyanide

artículo científico publicado en 2006

Gold as intermolecular glue: a theoretical study of nanostrips based on quinoline-type monomers

scientific article published on 17 April 2007

Hydrogen adsorption on MoS2-surfaces: a DFT study on preferential sites and the effect of sulfur and hydrogen coverage

artículo científico publicado en 2017

Hydrogen adsorption on doped MoS2 nanostructures.

artículo científico publicado en 2017

Hydrogen adsorption trends on Al-doped Ni2P surfaces for optimal catalyst design

scientific article published on 01 May 2018

Hydrogen adsorption trends on various metal-doped Ni2P surfaces for optimal catalyst design

scientific article published on 01 December 2018

Identification of the dye adsorption modes in dye-sensitised solar cells with X-ray spectroscopy techniques: a computational study

artículo científico publicado en 2015

Inelastic X-ray scattering and vibrational effects at the K-edges of gaseous N2, N2O, and CO2

article

Inelastic x-ray scattering in heterostructures: electronic excitations in LaAlO3/SrTiO3

article

Interplay between Temperature-Activated Vibrations and Nondipolar Effects in the Valence Excitations of the CO2 Molecule

article

Intra- and intermolecular effects on the Compton profile of the ionic liquid 1,3-dimethylimidazolium chloride

artículo científico publicado en 2014

Intramolecular structure and energetics in supercooled water down to 255 K.

artículo científico publicado en 2016

Isotope quantum effects in the electron momentum density of water

artículo científico publicado en 2007

Measurement of Two Solvation Regimes in Water-Ethanol Mixtures Using X-Ray Compton Scattering

artículo científico publicado en 2011

Microscopic structure of water at elevated pressures and temperatures

artículo científico publicado en 2013

Molecular-Level Changes of Aqueous Poly(N-isopropylacrylamide) in Phase Transition

Nuclear magnetic resonance parameters in water dimer

Probing the thermal stability and the decomposition mechanism of a magnesium-fullerene polymer via X-ray Raman spectroscopy, X-ray diffraction and molecular dynamics simulations

article

Protonation Dynamics and Hydrogen Bonding in Aqueous Sulfuric Acid

article

Resonant X-ray emission with a standing wave excitation ⬇️

artículo científico publicado en 2016

Role of Non-Hydrogen-Bonded Molecules in the Oxygen K-Edge Spectrum of Ice

scientific article published on 01 March 2010

Saturation behavior in X-ray Raman scattering spectra of aqueous LiCl

artículo científico publicado en 2013

Structure of liquid linear alcohols

artículo científico publicado en 2010

Sulphur Kβ emission spectra reveal protonation states of aqueous sulfuric acid

artículo científico publicado en 2016

Temperature Dependence of the Near-Edge Spectrum of Water

artículo científico publicado en 2011

Temperature dependence of CO2 and N2 core-electron excitation spectra at high pressure

artículo científico publicado en 2013

Temperature-Induced Structural Changes of Tetrahydrofuran Clathrate and of the Liquid Water/Tetrahydrofuran Mixture

article

Theoretical and experimental study of positron annihilation with core electrons in solids

artículo científico publicado en 1996

Time-dependent density functional approach for the calculation of inelastic x-ray scattering spectra of molecules

artículo científico publicado en 2010

Universal signature of hydrogen bonding in the oxygen K-edge spectrum of alcohols

artículo científico publicado en 2010

X-ray induced dimerization of cinnamic acid: Time-resolved inelastic X-ray scattering study

artículo científico publicado en 2015

Lista de obras de Mikko Hakala

Anomalous Energetics in Tetrahydrofuran Clathrate Hydrate Revealed by X-ray Compton Scattering

Calculation of isotropic Compton profiles with Gaussian basis sets

Charge localization in alcohol isomers studied by Compton scattering.

Completeness-optimized basis sets: application to ground-state electron momentum densities.

Compton scattering study of water versus iceIh: Intra- and intermolecular structure

Configurational Energetics in IceIhProbed by Compton Scattering

Contraction of completeness-optimized basis sets: application to ground-state electron momentum densities

Correlation of hydrogen bond lengths and angles in liquid water based on Compton scattering.

Crystal-field excitations in NiO under high pressure studied by resonant inelastic x-ray scattering

Density functional simulation of resonant inelastic X-ray scattering experiments in liquids: acetonitrile.

ERKALE-A flexible program package for X-ray properties of atoms and molecules

Effect of the hydrophobic alcohol chain length on the hydrogen-bond network of water

Experimental and computational study of crystalline formic acid composed of the higher-energy conformer

Gold as intermolecular glue: a predicted planar triaurotriazine, C3Au3N3, isomer of gold cyanide

Gold as intermolecular glue: a theoretical study of nanostrips based on quinoline-type monomers

Hydrogen adsorption on MoS2-surfaces: a DFT study on preferential sites and the effect of sulfur and hydrogen coverage

Hydrogen adsorption on doped MoS2 nanostructures.

Hydrogen adsorption trends on Al-doped Ni2P surfaces for optimal catalyst design

Hydrogen adsorption trends on various metal-doped Ni2P surfaces for optimal catalyst design

Identification of the dye adsorption modes in dye-sensitised solar cells with X-ray spectroscopy techniques: a computational study

Inelastic X-ray scattering and vibrational effects at the K-edges of gaseous N2, N2O, and CO2

Inelastic x-ray scattering in heterostructures: electronic excitations in LaAlO3/SrTiO3

Interplay between Temperature-Activated Vibrations and Nondipolar Effects in the Valence Excitations of the CO2 Molecule

Intra- and intermolecular effects on the Compton profile of the ionic liquid 1,3-dimethylimidazolium chloride

Intramolecular structure and energetics in supercooled water down to 255 K.

Isotope quantum effects in the electron momentum density of water

Measurement of Two Solvation Regimes in Water-Ethanol Mixtures Using X-Ray Compton Scattering

Microscopic structure of water at elevated pressures and temperatures

Molecular-Level Changes of Aqueous Poly(N-isopropylacrylamide) in Phase Transition

Nuclear magnetic resonance parameters in water dimer

Probing the thermal stability and the decomposition mechanism of a magnesium-fullerene polymer via X-ray Raman spectroscopy, X-ray diffraction and molecular dynamics simulations

Protonation Dynamics and Hydrogen Bonding in Aqueous Sulfuric Acid

Resonant X-ray emission with a standing wave excitation ⬇️

Role of Non-Hydrogen-Bonded Molecules in the Oxygen K-Edge Spectrum of Ice

Saturation behavior in X-ray Raman scattering spectra of aqueous LiCl

Structure of liquid linear alcohols

Sulphur Kβ emission spectra reveal protonation states of aqueous sulfuric acid

Temperature Dependence of the Near-Edge Spectrum of Water

Temperature dependence of CO2 and N2 core-electron excitation spectra at high pressure

Temperature-Induced Structural Changes of Tetrahydrofuran Clathrate and of the Liquid Water/Tetrahydrofuran Mixture

Theoretical and experimental study of positron annihilation with core electrons in solids

Time-dependent density functional approach for the calculation of inelastic x-ray scattering spectra of molecules

Universal signature of hydrogen bonding in the oxygen K-edge spectrum of alcohols

X-ray induced dimerization of cinnamic acid: Time-resolved inelastic X-ray scattering study