Results 141 to 150 of about 4,301,858 (301)

Prediction of solution phase association constants by mapping contact points in intermolecular complexes [PDF]

Atomic surface site interaction points (AIP) provide a complete description of the non-covalent interaction properties of organic molecules and can be used to predict solution phase equilibrium constants for formation of intermolecular complexes.

core   +4 more sources

Correlated Charge Transport in an Organic Coulomb Glass

Advanced Materials, EarlyView.
ABSTRACT Advances in the development of organic field‐effect transistors (OFETs), electrically gated organic semiconductors (EGOFETs), and organic electrochemical transistors (OECTs) allow for the operation of these devices at very high charge‐carrier densities, where Coulomb interactions between carriers can be expected to become significant.
Magdalena Sophie Dörfler, Heinz Bässler, Harald Oberhofer, Anna Köhler   +3 more
wiley   +1 more source

Determination of Noncovalent Intermolecular Interaction Energy from Electron Densities [PDF]

, 2004
Noncovalent intermolecular interactions, widely found in molecular clusters and bio-molecules, play a key role in many important processes, such as phase changes, folding of proteins and molecular recognition. However, accurate calculation of interaction
Ma, Yuguang
core  

When Poor Exciton Dissociation Limits Photocurrents in Organic Solar Cells: Why Low Offset Non‐Fullerene Acceptor Blends Can't Be Efficient

Advanced Materials, EarlyView.
The energetic offset between the donor and the acceptor components in organic photoactive layers is central to the tradeoff between photovoltage and photocurrent losses. This Perspective covers the most important issues surrounding this topic in non‐fullerene acceptor blends, from the difficulty of accurately determining state energies and driving ...
Dieter Neher, Manasi Pranav
wiley   +1 more source

MOLECULAR-BEAM SPECTROSCOPIC STUDIES OF INTERMOLECULAR INTERACTIONS

, 2016
The results of molecular-beam electric-resonance studies of weakly bound van der Waals complexes are discussed. The use of spectroscopic constants to investigate intermolecular interactions is critically examined.

core   +1 more source

Leaftronics: Bio‐Fractal Scaffolds From Leaf Venation for Low‐Waste Electronics

Advanced Materials, EarlyView.
“Leaftronics” transforms naturally evolved leaf venation into quasi‐fractal scaffolds for sustainable electronics. Polymer‐infiltrated leaf skeletons can be used to fabricate ultra‐smooth, reflow‐ and thin‐film‐compatible decomposable substrates, while making the same lignocellulose networks conducting results in flexible transparent electrodes.
Rakesh Rajendran Nair, Hrisheekesh Thachoth Chandran, Karl Leo, Hans Kleemann   +3 more
wiley   +1 more source

Mechanism of Carrier Formation in P3HT-C₆₀-PCBM Solar Cells

Nanomaterials
Solar cells convert light energy directly into electricity using semiconductor materials. The ternary system, composed of poly(3-hexylthiophene) (P3HT), fullerene (C60), and phenyl-C61-butyric-acid-methyl-ester (PCBM), expressed as P3HT-C60-PCBM, is one ...
Hiroto Tachikawa, Hiroshi Kawabata, Shigeaki Abe, Ikuya Watanabe   +3 more
doaj   +1 more source

Study of gelatin-agar intermolecular aggregates in the supernatant of its coacervate

, 2007
Intermolecular interaction leading to formation of aggregates between gelatin, a polyampholyte, and agar, a polysaccharide was studied in the supernatant of the complex coacervate formed by these biopolymers.
Bohidar, Himadri, Singh, Salesh, Bandyopadhyay, Srikanta   +2 more
core   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

QM/MM study of N501 involved intermolecular interaction between SARS-CoV-2 receptor binding domain and antibody of human origin. [PDF]

Comput Biol Chem, 2023
Liu Y, Sulaiman HF, Johnson BR, Ma R, Gao Y, Fernando H, Amarasekara A, Ashley-Oyewole A, Fan H, Ingram HN, Briggs JM.   +10 more
europepmc   +1 more source