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List of works by Katrine L Svane

A general forcefield for accurate phonon properties of metal-organic frameworks ⬇️

scientific article published on 12 October 2016

A surface coordination network based on copper adatom trimers.

scientific article published on 22 September 2014

Adsorption and dehydrogenation of tetrahydroxybenzene on Cu(111)

scientific article published on 01 October 2013

Computational materials design of crystalline solids

scientific article

Ein Metall-organisches Netzwerk auf Basis von Cu-Adatom- Trimeren

Electronic origins of photocatalytic activity in d0 metal organic frameworks

scientific article published on 29 March 2016

Erratum: Hydrogen bond rotations as a uniform structural tool for analyzing protein architecture

scientific article published in Nature Communications

Free Energy of Ligand Removal in the Metal-Organic Framework UiO-66 ⬇️

scientific article

How Strong Is the Hydrogen Bond in Hybrid Perovskites?

scientific article published on 8 December 2017

Hydrogen bond rotations as a uniform structural tool for analyzing protein architecture.

scientific article

Improving the Activity of M-N4 Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption

scientific article published on 07 November 2019

Influence of CH···N Interaction in the Self-Assembly of an Oligo(isoquinolyne-ethynylyne) Molecule with Distinct Conformational States.

scientific article

Microscopic origin of entropy-driven polymorphism in hybrid organic-inorganic perovskite materials ⬇️

scholarly article in Physical Review B, vol. 94 no. 18, November 2016

Quantifying Thermal Disorder in Metal-Organic Frameworks: Lattice Dynamics and Molecular Dynamics Simulations of Hybrid Formate Perovskites

scientific article published on 12 December 2016

STM Study of Ketopantolactone/(R)-1-(1-Naphthyl)ethylamine Complexes on Pt(111): Comparison of Prochiral and Enantiomeric Ratios and Examination of the Contribution of CH···OC Bonding

Selection of conformational states in self-assembled surface structures formed from an oligo(naphthylene–ethynylene) 3-bit binary switch

scientific article published on 01 March 2015

Selection of conformational states in surface self-assembly for a molecule with eight possible pairs of surface enantiomers

scientific article published on 17 November 2016

Single-chiral-catalytic-surface-sites: STM and DFT study of stereodirecting complexes formed between (R)-1-(1-naphthyl)ethylamine and ketopantolactone on Pt(111)

Stability and flexibility of heterometallic formate perovskites with the dimethylammonium cation: pressure-induced phase transitions

scientific article published on 01 February 2019

Structure and role of metal clusters in a metal-organic coordination network determined by density functional theory

Thermodynamic aspects of dehydrogenation reactions on noble metal surfaces

scientific article published on 01 November 2014

Vacancy defect configurations in the metal-organic framework UiO-66: energetics and electronic structure

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