A quantum chemical investigation of the anisole radical cation with inclusion of aqueous solvation effects

1991 ◽  
Vol 95 (18) ◽  
pp. 6811-6819 ◽  
Author(s):  
Vinzenz Bachler ◽  
Steen Steenken ◽  
Dietrich Schulte-Frohlinde
2015 ◽  
Vol 44 (25) ◽  
pp. 11572-11581 ◽  
Author(s):  
Eszter Makkos ◽  
Andrew Kerridge ◽  
Nikolas Kaltsoyannis

Quantum chemical investigation of the aqueous solvation of strontium hydroxides reveals that the inclusion of an explicit second shell of water molecules is essential to accurately model such systems.


2021 ◽  
Vol 507 ◽  
pp. 111553
Author(s):  
Animesh Chowdhury ◽  
Santu Biswas ◽  
Sourav Ghoshal ◽  
Anup Pramanik ◽  
Pranab Sarkar

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