Lista de obras -

A potential Cu/V-organophosphonate platform for tailored void spaces via terpyridine mold casting

artículo científico publicado en 2017

A variety of bond analysis methods, one answer? An investigation of the element-oxygen bond of hydroxides HnXOH.

artículo científico publicado en 2018

Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals

artículo científico publicado en 2014

Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.

artículo científico publicado en 2010

Chemical Bonding in Polarised Push-Pull Ethylenes

artículo científico publicado en 2019

Complementary bonding analysis of the N-Si interaction in pentacoordinated silicon compounds using quantum crystallography

scientific article published on 17 October 2019

Covalency and Ionicity Do Not Oppose Each Other-Relationship Between Si-O Bond Character and Basicity of Siloxanes

artículo científico publicado en 2018

Electron Density of Two Bioactive Oligocyclic Indole and Oxindole Derivatives Obtained from Low‐Order X‐Ray Data and Invariom Application ⬇️

artículo científico publicado el 23 de marzo de 2011

Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy

artículo científico publicado en 2019

First steps towards a stable neon compound: observation and bonding analysis of [B12(CN)11Ne]

artículo científico publicado en 2020

Hirshfeld atom refinement for modelling strong hydrogen bonds

scientific article published on 30 August 2014

Hydrogen atoms can be located accurately and precisely by x-ray crystallography

artículo científico publicado en 2016

Hydrogen atoms in bridging positions from quantum crystallographic refinements: influence of hydrogen atom displacement parameters on geometry and electron density

artículo científico publicado en 2020

Investigating Complex Magnetic Anisotropy in a Co(II) Molecular Compound: A Charge Density and Correlated Ab Initio Electronic Structure Study

scientific article published on 01 September 2020

Linear MgCp2 vs Bent CaCp2: London Dispersion, Ligand-Induced Charge Localizations, and Pseudo-Pregostic C-H···Ca Interactions.

artículo científico publicado en 2018

Mapping the Trajectory of Nucleophilic Substitution at Silicon Using a peri-Substituted Acenaphthyl Scaffold.

artículo científico publicado en 2017

Nature of Bonding in Donor-Acceptor Interactions Exemplified by Complexes of N-Heterocyclic Carbenes with 1,2,5-Telluradiazoles.

artículo científico publicado en 2017

Non-Oxido-Vanadium(IV) Metalloradical Complexes with Bidentate 1,2-Dithienylethene Ligands: Observation of Reversible Cyclization of the Ligand Scaffold in Solution

artículo científico publicado en 2020

On the accuracy and precision of X-ray and neutron diffraction results as a function of resolution and the electron density model

scientific article published on 25 August 2020

On the temperature dependence of H-U(iso) in the riding hydrogen model

artículo científico publicado en 2014

Oxygen transfer from an intramolecularly coordinated diaryltellurium oxide to acetonitrile. Formation and combined AIM and ELI-D analysis of a novel diaryltellurium acetimidate

artículo científico publicado en 2014

Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations

artículo científico publicado en 2017

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2.

artículo científico publicado en 2018

Properties of gaseous closo-[B6X6]2- dianions (X = Cl, Br, I)

artículo científico publicado en 2020

Proximity Enforced Agostic Interactions Involving Closed-Shell Coinage Metal Ions

scientific article published on 20 November 2019

Quantum crystallography

artículo científico publicado en 2017

Rational design of an argon-binding superelectrophilic anion

artículo científico publicado en 2019

Relativistic Hirshfeld atom refinement of an organo-gold(I) compound

artículo científico publicado en 2021

Relativistic quantum crystallography of diphenyl- and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement

scientific article published on 12 August 2019

Revisiting a Historical Concept by Using Quantum Crystallography: Are Phosphate, Sulfate and Perchlorate Anions Hypervalent?

artículo científico publicado en 2019

Superelectrophilic Behavior of an Anion Demonstrated by the Spontaneous Binding of Noble Gases to [B12 Cl11 ].

artículo científico publicado en 2017

Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis

artículo científico publicado en 2018

Synthesis and Characterization of Oxazaborinin Phosphonate for Blue OLED Emitter Applications

artículo científico publicado en 2019

Validation of X-ray Wavefunction Refinement.

artículo científico publicado en 2017

Lista de obras de

A potential Cu/V-organophosphonate platform for tailored void spaces via terpyridine mold casting

A variety of bond analysis methods, one answer? An investigation of the element-oxygen bond of hydroxides HnXOH.

Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals

Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.

Chemical Bonding in Polarised Push-Pull Ethylenes

Complementary bonding analysis of the N-Si interaction in pentacoordinated silicon compounds using quantum crystallography

Covalency and Ionicity Do Not Oppose Each Other-Relationship Between Si-O Bond Character and Basicity of Siloxanes

Electron Density of Two Bioactive Oligocyclic Indole and Oxindole Derivatives Obtained from Low‐Order X‐Ray Data and Invariom Application ⬇️

Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy

First steps towards a stable neon compound: observation and bonding analysis of [B12(CN)11Ne]

Hirshfeld atom refinement for modelling strong hydrogen bonds

Hydrogen atoms can be located accurately and precisely by x-ray crystallography

Hydrogen atoms in bridging positions from quantum crystallographic refinements: influence of hydrogen atom displacement parameters on geometry and electron density

Investigating Complex Magnetic Anisotropy in a Co(II) Molecular Compound: A Charge Density and Correlated Ab Initio Electronic Structure Study

Linear MgCp*2 vs Bent CaCp*2: London Dispersion, Ligand-Induced Charge Localizations, and Pseudo-Pregostic C-H···Ca Interactions.

Mapping the Trajectory of Nucleophilic Substitution at Silicon Using a peri-Substituted Acenaphthyl Scaffold.

Nature of Bonding in Donor-Acceptor Interactions Exemplified by Complexes of N-Heterocyclic Carbenes with 1,2,5-Telluradiazoles.

Non-Oxido-Vanadium(IV) Metalloradical Complexes with Bidentate 1,2-Dithienylethene Ligands: Observation of Reversible Cyclization of the Ligand Scaffold in Solution

On the accuracy and precision of X-ray and neutron diffraction results as a function of resolution and the electron density model

On the temperature dependence of H-U(iso) in the riding hydrogen model

Oxygen transfer from an intramolecularly coordinated diaryltellurium oxide to acetonitrile. Formation and combined AIM and ELI-D analysis of a novel diaryltellurium acetimidate

Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2.

Properties of gaseous closo-[B6X6]2- dianions (X = Cl, Br, I)

Proximity Enforced Agostic Interactions Involving Closed-Shell Coinage Metal Ions

Quantum crystallography

Rational design of an argon-binding superelectrophilic anion

Relativistic Hirshfeld atom refinement of an organo-gold(I) compound

Relativistic quantum crystallography of diphenyl- and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement

Revisiting a Historical Concept by Using Quantum Crystallography: Are Phosphate, Sulfate and Perchlorate Anions Hypervalent?

Superelectrophilic Behavior of an Anion Demonstrated by the Spontaneous Binding of Noble Gases to [B12 Cl11 ].

Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis

Synthesis and Characterization of Oxazaborinin Phosphonate for Blue OLED Emitter Applications

Validation of X-ray Wavefunction Refinement.

Linear MgCp2 vs Bent CaCp2: London Dispersion, Ligand-Induced Charge Localizations, and Pseudo-Pregostic C-H···Ca Interactions.