The past, present, and future of molecular gels. What is the status of the field, and where is it going?

RG Weiss - Journal of the American Chemical Society, 2014 - ACS Publications
A Perspective is presented on the history and current understanding of molecular gels and
the factors that must be considered to characterize them. The abilities of the most important …

De novo protein folding on computers. Benefits and challenges

B Robson - Computers in biology and medicine, 2022 - Elsevier
There has been recent success in prediction of the three-dimensional folded native
structures of proteins, most famously by the AlphaFold Algorithm running on …

Crystallography and spin-crossover. A view of breathing materials

P Guionneau - Dalton Transactions, 2014 - pubs.rsc.org
The spin-crossover phenomenon (SCO) is a fascinating field that potentially concerns any
material containing a (d4–d7) transition metal complex finding therefore an echo in as …

Organic molecular compounds with modulated crystal structures

A Schoenleber - 2011 - degruyter.com
Even though the higher-dimensional superspace approach is an established method to
describe aperiodic crystal structures, it is not yet fully considered and applied by a larger …

H-bond breaking in high-pressure urea

A Olejniczak, K Ostrowska… - The Journal of Physical …, 2009 - ACS Publications
Hydrogen bonds NH··· O are broken and restored, and their lengths changed by more than 1
Å in the strained crystal environment of urea,(NH2) 2CO, when exposed to high pressure …

Design of crystal-like aperiodic solids with selective disorder–phonon coupling

AR Overy, AB Cairns, MJ Cliffe, A Simonov… - Nature …, 2016 - nature.com
Functional materials design normally focuses on structurally ordered systems because
disorder is considered detrimental to many functional properties. Here we challenge this …

Aperiodic crystals and superspace concepts

T Janssen, A Janner - … B: Structural Science, Crystal Engineering and …, 2014 - scripts.iucr.org
For several decades the lattice periodicity of crystals, as shown by Laue, was considered to
be their essential property. In the early sixties of the last century compounds were found …

A non-mathematical introduction to the superspace description of modulated structures

T Wagner, A Schönleber - Acta Crystallographica Section B …, 2009 - journals.iucr.org
The X-ray analysis of (6R, 7aS)-6-(tert-butyl-dimethylsilanyloxy)-1-hydroxy-2-phenyl-5, 6, 7,
7a-tetrahydropyrrolizin-3-one, C19H27NO3Si, revealed a diffraction pattern which is typical …

Intermolecular interaction in density functional theory: Application to carbon nanotubes and fullerenes

YJ Dappe, J Ortega, F Flores - Physical Review B—Condensed Matter and …, 2009 - APS
A theoretical study of weak interactions in graphitic materials such as carbon nanotubes
(CNTs), fullerenes, and graphene is presented here. Based on a localized orbital density …

Nanoscale Self‐Hosting of Molecular Spin‐States in the Intermediate Phase of a Spin‐Crossover Material

N Bréfuel, E Collet, H Watanabe… - … A European Journal, 2010 - Wiley Online Library
A new spin-crossover (SC) complex [FeIIH2L2-Me] ACHTUNGTRENNUNG [AsF6] 2 has
been synthesized, in which H2L2-Me denotes the chirogenic hexadentate N6 Schiffbase …