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Facial and Meridional Isomers of Tris(bidentate) Ir(III) Complexes: Unravelling Their Different Excited State Reactivity [PDF]

Inorg. Chem., 2018, 57, 12106, 2019
The use of tris(bidentate) Ir(III) complexes as light active components in phosphorescent organic light-emitting diodes (PhOLEDs) is currently the state-of-the-art technology to attain long-lasting and highly performing devices. Still, further improvements of their operational lifetimes are required for their practical use in lighting and displays ...
arxiv   +1 more source

Automated Identification and Classification of Stereochemistry: Chirality and Double Bond Stereoisomerism [PDF]

arXiv, 2013
Stereoisomers have the same molecular formula and the same atom connectivity and their existence can be related to the presence of different three-dimensional arrangements. Stereoisomerism is of great importance in many different fields since the molecular properties and biological effects of the stereoisomers are often significantly different.
arxiv  

Atomas: Hierarchical Alignment on Molecule-Text for Unified Molecule Understanding and Generation [PDF]

arXiv
Molecule-and-text cross-modal representation learning has emerged as a promising direction for enhancing the quality of molecular representation, thereby improving performance in various scientific fields. However, most approaches employ a global alignment approach to learn the knowledge from different modalities that may fail to capture fine-grained ...
arxiv