Results 11 to 20 of about 4,764,380 (406)
Dependence of single-molecule junction conductance on molecular conformation [PDF]
Nature, 2006 Since it was first suggested that a single molecule might function as an active electronic component, a number of techniques have been developed to measure the charge transport properties of single molecules.
Latha Venkataraman +2 more
exaly +2 more sources
Photo-stability study of a solution-processed small molecule solar cell system: correlation between molecular conformation and degradation [PDF]
Science and Technology of Advanced Materials, 2018 Solution-processed organic small molecule solar cells (SMSCs) have achieved efficiency over 11%. However, very few studies have focused on their stability under illumination and the origin of the degradation during the so-called burn-in period.
Michael J. Newman +10 more
doaj +2 more sources
Mussel adhesion is dictated by time-regulated secretion and molecular conformation of mussel adhesive proteins. [PDF]
Nat Commun, 2015 Interfacial water constitutes a formidable barrier to strong surface bonding, hampering the development of water-resistant synthetic adhesives. Notwithstanding this obstacle, the Asian green mussel Perna viridis attaches firmly to underwater surfaces via
Petrone L +9 more
europepmc +2 more sources
GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation [PDF]
International Conference on Learning Representations, 2022 Predicting molecular conformations from molecular graphs is a fundamental problem in cheminformatics and drug discovery. Recently, significant progress has been achieved with machine learning approaches, especially with deep generative models.
Minkai Xu +5 more
semanticscholar +1 more source
Do Deep Learning Methods Really Perform Better in Molecular Conformation Generation? [PDF]
arXiv.org, 2023 Molecular conformation generation (MCG) is a fundamental and important problem in drug discovery. Many traditional methods have been developed to solve the MCG problem, such as systematic searching, model-building, random searching, distance geometry ...
G. Zhou +4 more
semanticscholar +1 more source
Polarity- and Pressure-Induced Emission from a Benzophenone-Based Luminophore
Molecules, 2022 Since strong polarity usually causes emission quenching, materials with polarity-induced emission (PIE) are rarely reported despite their important applications in polar environments. Herein, an N-phenylcarbazole-substituted benzophenone derivative (BP-3-
Qintao Hu +3 more
doaj +1 more source
CONFORMATIONAL TRANSITIONS IN MOLECULAR SYSTEMS [PDF]
Path Integrals — New Trends and Perspectives, 2008 Proteins are the "work horses" in biological systems. In almost all functions specific proteins are involved. They control molecular transport processes, stabilize the cell structure, enzymatically catalyze chemical reactions; others act as molecular motors in the complex machinery of molecular synthetization processes.
Wolfhard Janke, Michael Bachmann
openaire +3 more sources
Acta Crystallographica Section E: Crystallographic Communications, 2020 Five examples each of 3-(5-aryloxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-[4-(prop-2-yn-1-yloxy)phenyl]prop-2-en-1-ones and the corresponding 1-(4-azidophenyl)-3-(5-aryloxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)prop-2-en-1-ones have been synthesized in a ...
Haruvegowda Kiran Kumar +6 more
doaj +1 more source
Molecules, 2022 Developing molecular generative models for directly generating 3D conformation has recently become a hot research area. Here, an autoencoder based generative model was proposed for molecular conformation generation. A unique feature of our method is that
Mingyuan Xu +4 more
doaj +1 more source
Turning On Solid‐State Luminescence by Phototriggered Subtle Molecular Conformation Variations
Advances in Materials, 2020 The development of solid‐state intelligent materials, in particular those showing photoresponsive luminescence (PRL), is highly desirable for their cutting‐edge applications in sensors, displays, data‐storage, and anti‐counterfeiting, but is challenging.
Weijun Zhao +8 more
semanticscholar +1 more source