Mechanical properties and peculiarities of molecular crystals
In the last century, molecular crystals functioned predominantly as a means for determining
the molecular structures via X-ray diffraction, albeit as the century came to a close the …
the molecular structures via X-ray diffraction, albeit as the century came to a close the …
NMR crystallography of molecular organics
P Hodgkinson - Progress in Nuclear Magnetic Resonance …, 2020 - Elsevier
Developments of NMR methodology to characterise the structures of molecular organic
structures are reviewed, concentrating on the previous decade of research in which density …
structures are reviewed, concentrating on the previous decade of research in which density …
Geometrically reconfigurable, 2D, all‐organic photonic integrated circuits made from two mechanically and optically dissimilar crystals
With the rising concerns about global cybersecurity, safe data transduction that would be
impervious to cyber attacks necessitates an immediate shift from electron‐based to light …
impervious to cyber attacks necessitates an immediate shift from electron‐based to light …
An elastic organic crystal enables macroscopic photoinduced crystal elongation
YS Chen, CH Wang, YH Hu, CYD Lu… - Journal of the American …, 2023 - ACS Publications
Among the various types of photomechanical deformations of organic crystals, photoinduced
elongation of millimeter-scale crystals has yet to be demonstrated. Here we report that the …
elongation of millimeter-scale crystals has yet to be demonstrated. Here we report that the …
Organic crystal packing is key to determining the photomechanical response
Organic photomechanical crystals have great promise as molecular machines, but their
development has been hindered by a lack of clear theoretical design principles. While much …
development has been hindered by a lack of clear theoretical design principles. While much …
Improved Description of Intra-and Intermolecular Interactions through Dispersion-Corrected Second-Order Møller–Plesset Perturbation Theory
Conspectus The quantum chemical modeling of organic crystals and other molecular
condensed-phase problems requires computationally affordable electronic structure …
condensed-phase problems requires computationally affordable electronic structure …
Do Models beyond Hybrid Density Functionals Increase the Agreement with Experiment for Predicted NMR Chemical Shifts or Electric Field Gradient Tensors in …
Ab initio predictions of chemical shifts and electric field gradient (EFG) tensor components
are frequently used to help interpret solid-state nuclear magnetic resonance (NMR) …
are frequently used to help interpret solid-state nuclear magnetic resonance (NMR) …
Predicting molecular crystal properties from first principles: Finite-temperature thermochemistry to NMR crystallography
GJO Beran, JD Hartman, YN Heit - Accounts of Chemical …, 2016 - ACS Publications
Conspectus Molecular crystals occur widely in pharmaceuticals, foods, explosives, organic
semiconductors, and many other applications. Thanks to substantial progress in electronic …
semiconductors, and many other applications. Thanks to substantial progress in electronic …
Mechanically compliant single crystals of a stable organic radical
Mechanically compliant organic crystals are the foundation of the development of future
flexible, light-weight single-crystal electronics, and this requires reversibly deformable …
flexible, light-weight single-crystal electronics, and this requires reversibly deformable …
Understanding the impact of halogenation on the crystalline photomechanical response properties of 9-anthracene carboxylic acid from first-principles
Photomechanical organic crystals transform light into mechanical work via solid-state
photochemical reactions. While many examples of photomechanical systems have been …
photochemical reactions. While many examples of photomechanical systems have been …