High Temperature Aqueous Solvent Effect on Stretching Vibrations of the Hydroxyl Radical – MD Simulation Study of Spectral Shifts and Hydrogen Bond Statistics

2019 ◽  
Vol 143 ◽  
pp. 126-133 ◽  
Author(s):  
Dorota Swiatla-Wojcik ◽  
Joanna Szala-Bilnik
Keyword(s):  
Hydrogen Bond ◽  
High Temperature ◽  
Hydroxyl Radical ◽  
Solvent Effect ◽  
Simulation Study ◽  
Md Simulation ◽  
Spectral Shifts ◽  
Aqueous Solvent ◽  
Aqueous Solvent Effect ◽  
Stretching Vibrations

A powerful aqueous solvent effect in an intramolecular Diels-Alder cyclisation

2004 ◽  
Vol 2004 (9) ◽  
pp. 608-610 ◽  
Author(s):  
Nikolai Kuhnert ◽  
Peter G. Sammes ◽  
Graham Smith ◽  
Robert W. Ward
Keyword(s):  
Solvent Effect ◽  
Diels Alder ◽  
Aqueous Solvent ◽  
Aqueous Solvent Effect

A Powerful Aqueous Solvent Effect in an Intramolecular Diels?Alder Cyclization.

ChemInform ◽  
2005 ◽  
Vol 36 (12) ◽  
Author(s):  
Nikolai Kuhnert ◽  
Peter G. Sammes ◽  
Graham Smith ◽  
Robert W. Ward
Keyword(s):  
Solvent Effect ◽  
Diels Alder ◽  
Aqueous Solvent ◽  
Aqueous Solvent Effect

scholarly journals Carbonic Anhydrase II Based Biosensing of Carbon Dioxide at High Temperature: An Analytical and MD Simulation Study

2018 ◽  
Vol 09 (01) ◽  
Author(s):  
Danish Idrees ◽  
Razique Anwer ◽  
Mohd Shahbaaz ◽  
Myalowenkosi Sabela ◽  
Khalid I Al Qumaizi ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
High Temperature ◽  
Carbonic Anhydrase ◽  
Simulation Study ◽  
Md Simulation ◽  
Carbonic Anhydrase Ii

MD Simulation Study of Ras/Raf Dissociation and the Resonating Structure of Deactivated Ras

2012 ◽  
Vol 85 (12) ◽  
pp. 1318-1328
Author(s):  
Koji Ogata ◽  
Jun-Wei Shen ◽  
Satoshi Sugawa ◽  
Shinichiro Nakamura
Keyword(s):  
Simulation Study ◽  
Md Simulation
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