Predicted crystal energy landscapes of porous organic cages
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Reticular synthesis of porous molecular 1D nanotubes and 3D networks.Organised chaos: entropy in hybrid inorganic-organic systems and other materialsReport on the sixth blind test of organic crystal structure prediction methods.Application of computational methods to the design and characterisation of porous molecular materials.Solid state forms of 4-aminoquinaldine - From void structures with and without solvent inclusion to close packing.Functional materials discovery using energy-structure-function maps.An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostaticsEnergy-Structure-Function Maps: Cartography for Materials Discovery.Clathrate Structure Determination by Combining Crystal Structure Prediction with Computational and Experimental 129 Xe NMR Spectroscopy.Substituent interference on supramolecular assembly in urea gelators: synthesis, structure prediction and NMR.Computational design of molecules for an all-quinone redox flow battery.Predicting solvent effects on the structure of porous organic molecules
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Predicted crystal energy landscapes of porous organic cages
description
article
@en
im Januar 2014 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована у 2014
@uk
name
Predicted crystal energy landscapes of porous organic cages
@en
Predicted crystal energy landscapes of porous organic cages
@nl
type
label
Predicted crystal energy landscapes of porous organic cages
@en
Predicted crystal energy landscapes of porous organic cages
@nl
prefLabel
Predicted crystal energy landscapes of porous organic cages
@en
Predicted crystal energy landscapes of porous organic cages
@nl
P2093
P2860
P356
P1433
P1476
Predicted crystal energy landscapes of porous organic cages
@en
P2093
Andrew I. Cooper
Edward O. Pyzer-Knapp
Florian Schiffmann
Hugh P. G. Thompson
Kim E. Jelfs
Marc A. Little
Samantha Y. Chong
P2860
P304
P356
10.1039/C4SC00095A
P50
P577
2014-01-01T00:00:00Z