List of works - Simon Grabowsky

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

scientific article published on 29 March 2017

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

scientific article published on 21 February 2018

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

scientific article published on 26 November 2014

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

scientific article published in September 2010

Chemical Bonding in Polarised Push-Pull Ethylenes

scientific article published on 24 May 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

scientific article published on 21 September 2018

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

scientific article published on March 23, 2011

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

scientific article published on 30 October 2019

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

scientific article published on 24 March 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

scientific article

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

scientific article published in 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.

scientific article published on 19 April 2018

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

scientific article published on 10 April 2017

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

scientific article

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

scientific article published on 21 January 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

scientific article published on 28 May 2014

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

scientific article published in 2014

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

scientific article published on 30 May 2017

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

scientific article published in January 2018

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

scientific article published on 30 July 2020

Proximity Enforced Agostic Interactions Involving Closed-Shell Coinage Metal Ions

scientific article published on 20 November 2019

Quantum crystallography

scientific article published on 27 March 2017

Rational design of an argon-binding superelectrophilic anion

scientific article published on 05 April 2019

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

scientific article published in July 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?

scientific article published on 14 March 2019

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

scientific article published on 31 May 2017

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

scientific article published on 29 March 2018

Synthesis and Characterization of Oxazaborinin Phosphonate for Blue OLED Emitter Applications

scientific article published on 07 February 2019

Validation of X-ray Wavefunction Refinement.

scientific article published on 23 November 2017

List of works by Simon Grabowsky