scholarly journals ENDOR Spectroscopy and DFT Calculations: Evidence for the Hydrogen-Bond Network Within α2 in the PCET of E. coli Ribonucleotide Reductase

2012 ◽  
Vol 134 (42) ◽  
pp. 17661-17670 ◽  
Author(s):  
Tomislav Argirević ◽  
Christoph Riplinger ◽  
JoAnne Stubbe ◽  
Frank Neese ◽  
Marina Bennati
Keyword(s):  
Hydrogen Bond ◽  
Dft Calculations ◽  
Ribonucleotide Reductase ◽  
Hydrogen Bond Network ◽  
E Coli ◽  
Endor Spectroscopy ◽  
Bond Network

In silico design of adamantane derived organic superbases with an extended hydrogen bond network and their use as molecular containers for the storage of H2 and CO2

RSC Advances ◽  
2015 ◽  
Vol 5 (124) ◽  
pp. 102247-102255 ◽  
Author(s):  
Krishnendu Khamaru ◽  
Bishwajit Ganguly
Keyword(s):  
Hydrogen Bond ◽  
Dft Calculations ◽  
In Silico ◽  
Gas Storage ◽  
Adamantane Derivatives ◽  
Hydrogen Bond Network ◽  
In Silico Design ◽  
Bond Network

DFT calculations predicted that amine substituted adamantane derivatives can function as organic superbases and can be used for gas storage.

Hydrogen-bond network in liquid ethylene glycol as studied by neutron scattering and DFT calculations

2016 ◽  
Vol 220 ◽  
pp. 527-539 ◽  
Author(s):  
Hafedh Abdelmoulahi ◽  
Houcine Ghalla ◽  
Salah Nasr ◽  
Mohamed Bahri ◽  
Marie-Claire Bellissent-Funel
Keyword(s):  
Hydrogen Bond ◽  
Ethylene Glycol ◽  
Dft Calculations ◽  
Neutron Scattering ◽  
Hydrogen Bond Network ◽  
Bond Network

Halides of Macrocyclic Silver(II) Complexes: Crystal Structures with Hydrogen Bond Network and Reaction Kinetics of the Decomposition

2021 ◽  
pp. 120431
Author(s):  
Akinori Honda ◽  
Shunta Kakihara ◽  
Shuhei Ichimura ◽  
Kazuaki Tomono ◽  
Mina Matsushita ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Reaction Kinetics ◽  
Crystal Structures ◽  
Hydrogen Bond Network ◽  
Bond Network ◽  
Kinetics Of
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