Quantum Chemical Study on Oxygen-17 and Nitrogen-14 Nuclear Quadrupole Coupling Parameters of Peptide Bonds in α-Helix and β-Sheet Proteins

2001 ◽  
Vol 105 (18) ◽  
pp. 4546-4557 ◽  
Author(s):  
Maricel Torrent ◽  
Danielle Mansour ◽  
Edmund P. Day ◽  
Keiji Morokuma
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Peptide Bonds ◽  
Quadrupole Coupling ◽  
Coupling Parameters ◽  
Nuclear Quadrupole ◽  
Α Helix ◽  
Β Sheet

Mixed uranyl and neptunyl cation–cation interaction-driven clusters: structures, energetic stability, and nuclear quadrupole interactions

2020 ◽  
Vol 22 (19) ◽  
pp. 10845-10852 ◽  
Author(s):  
Paweł Tecmer ◽  
Frank Schindler ◽  
Aleksandra Leszczyk ◽  
Katharina Boguslawski
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Quadrupole Interactions ◽  
Nuclear Quadrupole Interactions ◽  
Energetic Stability ◽  
Nuclear Quadrupole

We present a quantum-chemical study of mixed CCI clusters, their structures, energetic stability, and nuclear quadrupole interactions.

A quantum chemical study of the acidity of acetylene and 1,2-dihydrobuckminsterfullerene de-rivatives

2018 ◽  
Vol 59 (1) ◽  
pp. 51-53
Author(s):  
M. V. Makarova ◽  
◽  
S. G. Semenov ◽  
R. R. Kostikov ◽  
◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study
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