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List of works by Kim E Jelfs

<i>stk</i>: An extendable Python framework for automated molecular and supramolecular structure assembly and discovery

scientific article published in 2021

A Family of Superhelicenes: Easily Tunable, Chiral Nanographenes by Merging Helicity with Planar π Systems

A Family of Superhelicenes: Easily Tunable, Chiral Nanographenes by Merging Helicity with Planar π Systems

A Soft Porous Organic Cage Crystal with Complex Gas Sorption Behavior

article

A computational exploration of the crystal energy and charge-carrier mobility landscapes of the chiral [6]helicene molecule

scientific article published on 9 January 2018

A porous layered metal-organic framework from π–π-stacking of layers based on a Co6 building unit

Amine Molecular Cages as Supramolecular Fluorescent Explosive Sensors: A Computational Perspective

scientific article published on 5 May 2016

An evolutionary algorithm for the discovery of porous organic cages

scientific article published on 11 September 2018

An extensive theoretical survey of low-density allotropy in silicon

scientific article published on 21 June 2010

Application of computational methods to the design and characterisation of porous molecular materials

scientific article published on 4 May 2017

Chirality as a tool for function in porous organic cages

scientific article

Computationally-inspired discovery of an unsymmetrical porous organic cage

scientific article published on 26 November 2018

Conformer interconversion in a switchable porous organic cage

article

Controlling the Crystallization of Porous Organic Cages: Molecular Analogs of Isoreticular Frameworks Using Shape-Specific Directing Solvents

article

Correction to Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality

scientific article published on 04 June 2018

Development of efficient aqueous organic redox flow batteries using ion-sieving sulfonated polymer membranes

scientific article published on 08 June 2022

Dimensionality transformation through paddlewheel reconfiguration in a flexible and porous Zn-based metal-organic framework

scientific article published on 6 December 2012

Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality.

scientific article

Evidence for atomic mixingvia multiple intermediates during the dynamic interconversion of silicate oligomers in solution

article

From Concept to Crystals via Prediction: Multi-Component Organic Cage Pots by Social Self-Sorting

scientific article published on 24 September 2019

High-Throughput Approaches for the Discovery of Supramolecular Organic Cages

scientific article published on 01 August 2020

High-Throughput Screening Approach for the Optoelectronic Properties of Conjugated Polymers

scientific article published on 16 July 2018

High-pressure carbon dioxide uptake for porous organic cages: comparison of spectroscopic and manometric measurement techniques

article

Hydroxylation of silica nanoclusters (SiO2)M(H2O)N, M = 4, 8, 16, 24: stability and structural trends

scientific article published on 5 November 2013

In silico design of supramolecules from their precursors: odd-even effects in cage-forming reactions

scientific article published on 12 June 2013

Large Self-Assembled Chiral Organic Cages: Synthesis, Structure, and Shape Persistence

article

Mapping binary copolymer property space with neural networks.

scientific article

Modular and predictable assembly of porous organic molecular crystals.

scientific article published on 15 June 2011

Molecular dynamics simulations of gas selectivity in amorphous porous molecular solids.

scientific article published on 14 November 2013

Molecular generation targeting desired electronic properties via deep generative models

scientific article published on 12 March 2020

Molecular shape sorting using molecular organic cages

article

Multivariate analysis of disorder in metal-organic frameworks

scientific article published on 21 April 2022

N-Aryl-linked spirocyclic polymers for membrane separations of complex hydrocarbon mixtures

scientific article published on 01 July 2020

On-Off Porosity Switching in a Molecular Organic Solid

article

Organic Cage Dumbbells

scientific article published on 03 March 2020

Periphery-Functionalized Porous Organic Cages

scientific article

Polymer nanofilms with enhanced microporosity by interfacial polymerization.

scientific article published on 2 May 2016

Porosity in metal-organic framework glasses

scientific article

Porous Organic Cage Nanocrystals by Solution Mixing

article

Porous Organic Cages for Sulfur Hexafluoride Separation.

scientific article

Porous organic cage crystals: characterising the porous crystal surface

article

Predicting solvent effects on the structure of porous organic molecules

article

Separation of rare gases and chiral molecules by selective binding in porous organic cages

article

Shape selectivity by guest-driven restructuring of a porous material.

scientific article published on 26 March 2014

Shedding Light on Structure-Property Relationships for Conjugated Microporous Polymers: The Importance of Rings and Strain

scientific article published on 16 September 2013

Synthesis of a Large, Shape-Flexible, Solvatomorphic Porous Organic Cage

scientific article published on 15 May 2019

The influence of nitrogen position on charge carrier mobility in enantiopure aza[6]helicene crystals

scientific article published on 01 February 2019

Topological landscapes of porous organic cages

scientific article

Trapping virtual pores by crystal retro-engineering.

scientific article published in February 2014

Understanding static, dynamic and cooperative porosity in molecular materials

Unstitching the nanoscopic mystery of zeolite crystal formation

scientific article

pywindow: Automated Structural Analysis of Molecular Pores

scientific article published on 21 September 2018

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