Quantum-chemical simulations of the hydration of Pb(II) ion: structure, hydration energies, and pKa1 value

2018 ◽  
Vol 24 (8) ◽  
Author(s):  
Andrey M. Kuznetsov ◽  
Alexey N. Masliy ◽  
Gregory V. Korshin
Keyword(s):  
Quantum Chemical ◽  
Ion Structure ◽  
Hydration Energies

Binding energies of hydrated cobalt(ii) by collision-induced dissociation and theoretical studies: evidence for a new critical size

2018 ◽  
Vol 20 (2) ◽  
pp. 802-818 ◽  
Author(s):  
Rebecca A. Coates ◽  
P. B. Armentrout
Keyword(s):  
Quantum Chemical ◽  
Critical Size ◽  
Ion Beam ◽  
Binding Energies ◽  
Collision Induced Dissociation ◽  
Theoretical Studies ◽  
Tandem Mass ◽  
Guided Ion Beam ◽  
Hydration Energies

Thermochemical determination of Co2+(H2O)x, where x = 4–11, hydration energies by guided ion beam tandem mass spectrometry and using quantum chemical calculations.

Quantum Chemical Studies of Hole Transfer in Liquid Hexane

2017 ◽  
Vol 137 (7) ◽  
pp. 435-441
Author(s):  
Masahiro Sato ◽  
Akiko Kumada ◽  
Kunihiko Hidaka ◽  
Toshiyuki Hirano ◽  
Fumitoshi Sato
Keyword(s):  
Quantum Chemical ◽  
Hole Transfer ◽  
Chemical Studies ◽  
Quantum Chemical Studies
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