Luminescence in Crystalline Organic Materials: From Molecules to Molecular Solids
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DOI: 10.1002/adom.202002251
Abstract: Luminescent small, all‐organic molecules are of tremendous interest in materials and life science applications. Nevertheless, targeted design requires a basic understanding of the excited state deactivation pathways of the molecules themselves, and the modulations of… read more here.
Keywords: molecular solids; luminescence crystalline; organic materials; materials molecules ... See more keywords
Chemical shifts in molecular solids by machine learning
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DOI: 10.1038/s41467-018-06972-x
Abstract: Due to their strong dependence on local atonic environments, NMR chemical shifts are among the most powerful tools for strucutre elucidation of powdered solids or amorphous materials. Unfortunately, using them for structure determination depends on the… read more here.
Keywords: chemical shifts; machine learning; solids machine; molecular solids ... See more keywords
21st century developments in the understanding and control of molecular solids.
Sign Up to like & getrecommendations! Published in 2018 at "Chemical communications"
DOI: 10.1039/c8cc08277d
Abstract: The first decades of the 21st Century have seen very significant advances in the understanding, prediction and control of molecular solids. Advances in crystallization techniques, polymorphism, co-crystals, co-amorphous materials, crystal engineering and instrumentation have all… read more here.
Keywords: 21st century; century developments; control molecular; molecular solids ... See more keywords
Quantitative predictions of photoelectron spectra in amorphous molecular solids from multiscale quasiparticle embedding
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DOI: 10.1103/physrevb.101.035402
Abstract: We present a first-principles-based multiscale simulation framework for quantitative predictions of the high-energy part of the ultraviolet photoelectron spectroscopy (UPS) spectra of amorphous molecular solids. The approach combines a deposition simulation, many-body Green's function theory,… read more here.
Keywords: photoelectron spectra; predictions photoelectron; molecular solids; amorphous molecular ... See more keywords
Aggregate Elasticity and Tabletability of Molecular Solids: a Validation and Application of Powder Brillouin Light Scattering
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DOI: 10.1208/s12249-018-1194-x
Abstract: Describing the elastic deformation of single-crystal molecular solids under stress requires a comprehensive determination of the fourth-rank stiffness tensor (Cijkl). Single crystals are, however, rarely utilized in industrial applications, and thus averaging techniques (e.g., the… read more here.
Keywords: powder brillouin; moduli; tabletability; brillouin light ... See more keywords