Preparation of YBa2Cu3O7–x superconducting solutions and films from alkoxide-based precursors using sol–gel method and investigation of their chemical reaction mechanisms

2007 ◽  
Vol 451 (2) ◽  
pp. 98-106 ◽  
Author(s):  
Ibrahim Halil Mutlu ◽  
Hediye Acun ◽  
Erdal Celik ◽  
Hasan Turkmen
Keyword(s):  
Chemical Reaction ◽  
Reaction Mechanisms ◽  
Sol Gel ◽  
Gel Method ◽  
Sol Gel Method ◽  
Chemical Reaction Mechanisms

Synthesis and Photocatalytic Property of N-doped BiVO$lt;inf$gt;4$lt;/inf$gt; via Sol-Gel Method Using Corn Stem as Template

2014 ◽  
Vol 29 (8) ◽  
pp. 807
Author(s):  
WANG Min ◽  
NIU Chao ◽  
DONG Zhan-Jun ◽  
CHE Yin-Sheng ◽  
DONG Duo ◽  
...  
Keyword(s):  
Sol Gel ◽  
Photocatalytic Property ◽  
Gel Method ◽  
Sol Gel Method

A Paramedic Treatment for Modeling Explicitly Solvated Chemical Reaction Mechanisms

2018 ◽  
Author(s):  
Yasemin Basdogan ◽  
John Keith
Keyword(s):  
Reaction Mechanism ◽  
Chemical Reaction ◽  
Reaction Mechanisms ◽  
Reaction Pathway ◽  
Optimization Procedure ◽  
Cost Effective ◽  
Chemical Reaction Mechanisms ◽  
Solvent Molecules ◽  
Dynamics Simulations ◽  
Mbh Reaction

<div> <div> <div> <p>We report a static quantum chemistry modeling treatment to study how solvent molecules affect chemical reaction mechanisms without dynamics simulations. This modeling scheme uses a global optimization procedure to identify low energy intermediate states with different numbers of explicit solvent molecules and then the growing string method to locate sequential transition states along a reaction pathway. Testing this approach on the acid-catalyzed Morita-Baylis-Hillman (MBH) reaction in methanol, we found a reaction mechanism that is consistent with both recent experiments and computationally intensive dynamics simulations with explicit solvation. In doing so, we explain unphysical pitfalls that obfuscate computational modeling that uses microsolvated reaction intermediates. This new paramedic approach can promisingly capture essential physical chemistry of the complicated and multistep MBH reaction mechanism, and the energy profiles found with this model appear reasonably insensitive to the level of theory used for energy calculations. Thus, it should be a useful and computationally cost-effective approach for modeling solvent mediated reaction mechanisms when dynamics simulations are not possible. </p> </div> </div> </div>

Fe2O3 - TiO2 THIN FILMS PREPARED BY SOL-GEL METHOD

2011 ◽  
Vol 10 (2) ◽  
pp. 187-192 ◽  
Author(s):  
Ramona-Crina Suciu ◽  
Marcela Corina Rosu ◽  
Teofil Danut Silipas ◽  
Emil Indrea ◽  
Violeta Popescu ◽  
...  
Keyword(s):  
Thin Films ◽  
Sol Gel ◽  
Tio2 Thin Films ◽  
Gel Method ◽  
Sol Gel Method

NiO-doped CaCu3Ti4O12 Thin Film by Sol-Gel Method

2013 ◽  
Author(s):  
Dong XU ◽  
Qi SONG ◽  
Ke ZHANG ◽  
Hong-Xing XU ◽  
Yong-Tao YANG ◽  
...  
Keyword(s):  
Thin Film ◽  
Sol Gel ◽  
Gel Method ◽  
Sol Gel Method

Polycrystalline Mullite Fibers Prepared by Sol-Gel Method

2009 ◽  
Vol 24 (4) ◽  
pp. 848-852 ◽  
Author(s):  
Cheng-Shun LI ◽  
Yu-Jun ZHANG ◽  
Jing-De ZHANG
Keyword(s):  
Sol Gel ◽  
Gel Method ◽  
Sol Gel Method ◽  
Mullite Fibers
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