Results 71 to 80 of about 9,091,506 (300)

Gibbs Free Energy Example

, 2016
Educação Superior::Ciências Exatas e da Terra::QuímicaThis educational object contain an example of a chemical reaction and Gibbs free energy is used to determine if the reaction is spontaneous or notKnowledge about chemical reaction; Enthalpy and ...
khan academy
core   +1 more source

DFT Investigation of Hydrogen Atom Abstraction from NHC-Boranes by Methyl, Ethyl and Cyanomethyl Radicals—Composition and Correlation Analysis of Kinetic Barriers

Molecules, 2020
Understanding the hydrogen atom abstraction (HAA) reactions of N-heterocyclic carbene (NHC)-boranes is essential for extending the practical applications of boron chemistry.
Hong-jie Qu, Lang Yuan, Cai-xin Jia, Hai-tao Yu, Hui Xu   +4 more
doaj   +1 more source

Atom‐Efficient Cerium‐Based Molecular Cages as Biocompatible Reactive Oxygen Scavengers

Advanced Healthcare Materials, EarlyView.
Discrete mixed‐valent cerium molecular cages organize accessible redox centers within confined coordination environments and scavenge superoxide, hydrogen peroxide, and hydroxyl radicals. Encapsulation of the lead cage in an ROS‐responsive DTP nanoplatform enables lesion‐associated delivery, attenuates macrophage oxidative stress and inflammation, and ...
Chao Li, Chunbai Xiang, Ye Xu, Yu Liu, Keze Hong, Fanchu Zeng, Gelin Xu, Zhao‐Xi Wang, Jonathan L. Sessler, Ping Gong   +9 more
wiley   +1 more source

Density, Dynamic Viscosity and Derived Properties of Binary Mixtures of Methanol, Ethanol, n-Propanol, and n-Butanol with Pyridine at T = (293.15, 303.15, 313.15 and 323.15) K

International Journal of Electrochemical Science, 2012
Densities, viscosities of binary liquid mixtures composed of pyridine and some primary alcohols namely methanol, ethanol, n-propanol and n-butanol were determined at 293.15, 303.15, 313.15 and 323.15 K.
Ezekiel D. Dikio, Simphiwe M. Nelana, David A. Isabirye, Eno E. Ebenso   +3 more
doaj   +1 more source

Thermodynamic Limits to Molecular Doping in Conjugated Polymers: A Perspective on Phase Behavior and Miscibility

Advanced Materials, EarlyView.
Molecular doping of conjugated polymers is fundamentally constrained by thermodynamic phase behavior. This Perspective reframes doping efficiency and stability in terms of miscibility limits, binodals, and solvus boundaries, highlighting the role of effective interaction parameters and charge transfer.
Somayeh Kashani, Justin Neu, Sung‐Joo Kwon, Runqio Song, Zixuan Chen, Tajah Trapier, Paschalis Gkoupidenis, David Ginger, Wei You, Jasper J. Michels, Harald Ade   +10 more
wiley   +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

Gibbs Free-Energy Changes for the Growth of Argon Clusters Absorbed on Graphite [PDF]

, 1992
Changes in Gibbs free energies for the process Arn-i,(a) + Ar(a) ͢ Arn,(a) are calculated by Monte Carlo simulations for Ar clusters physisorbed on a graphite substrate. Calculations are performed for clusters Ar2 through Ari2 at 10 K.
Freeman, David L., Lopez, Gustavo E., Mary Ann Strozak, Gustavo E. Lopez, David L. Freeman, Strozak, Mary Ann   +5 more
core   +1 more source

In silico design of hydrazone antioxidants and analysis of their free radical-scavenging mechanism by thermodynamic studies

Beni-Suef University Journal of Basic and Applied Sciences, 2019
Background Antioxidants are very crucial in maintaining the normal function of body cells, as they scavenge excess free radical in the body. A set of hydrazone antioxidants was designed by in silico screening.
Ikechukwu Ogadimma Alisi, Adamu Uzairu, Stephen Eyije Abechi   +2 more
doaj   +1 more source

Pulsed Laser‐Assisted Phase Engineering of Multimetallic Colloidal Nanocrystals With Complex Compositions

Advanced Materials, EarlyView.
The engineering of colloidal nanocrystals with complex compositions has emerged as a highly active area of research within nanomaterials science. This review covers key aspects of colloidal solid‐solution nanocrystal formation using pulsed laser irradiation.
Marina T. Candela, Sergio Triviño‐Sánchez, Andrés Guerrero‐Martínez, Luis M. Liz‐Marzán, Guillermo González‐Rubio   +4 more
wiley   +1 more source

Gibbs Free Energy and Enthalpy–Entropy Compensation in Protein–Ligand Interactions

Biophysica
The thermodynamics of protein–ligand interactions seems to be associated with a narrow range of Gibbs free energy. As a consequence, a linear enthalpy–entropy relationship showing an apparent enthalpy–entropy compensation (EEC) is frequently associated ...
Juan S. Jiménez, María J. Benítez
doaj   +1 more source