Understanding Acidity of Molten Salt Hydrate Media for Cellulose Hydrolysis by Combining Kinetic Studies, Electrolyte Solution Modeling, Molecular Dynamics Simulations, and 13C NMR Experiments

ACS Catalysis ◽  
2019 ◽  
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Author(s):  
Natalia Rodriguez Quiroz ◽  
Arul M. D. Padmanathan ◽  
Samir H. Mushrif ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Molten Salt ◽  
Electrolyte Solution ◽  
13C Nmr ◽  
Kinetic Studies ◽  
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Salt Hydrate ◽  
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scholarly journals Investigation of ionic local structure in molten salt fast reactor LiF-ThF4-UF4 fuel by EXAFS experiments and molecular dynamics simulations

2020 ◽  
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Catherine Bessada ◽  
Didier Zanghi ◽  
Mathieu Salanne ◽  
Ana Gil-Martin ◽  
Mathieu Gibilaro ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Molten Salt ◽  
Fast Reactor ◽  
Local Structure ◽  
Dynamics Simulations

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1994 ◽  
Vol 10 (08) ◽  
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Xu Li ◽  
Chen Nian-Yi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Molten Salt ◽  
Salt Solutions ◽  
Dynamics Simulations

scholarly journals Ammonia channeling in bacterial glucosamine-6-phosphate synthase (Glms): Molecular dynamics simulations and kinetic studies of protein mutants

FEBS Letters ◽  
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Stéphane Mouilleron ◽  
Rasha Daher ◽  
Bernard Maigret ◽  
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Molecular Dynamics Simulations ◽  
Kinetic Studies ◽  
Protein Mutants ◽  
Dynamics Simulations ◽  
Phosphate Synthase
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