Remarkable structural effects on the complexation of actinides with H-phosphonates: a combined experimental and quantum chemical study

2018 ◽  
Vol 47 (11) ◽  
pp. 3841-3850 ◽  
Author(s):  
Aditi Chandrasekar ◽  
Brahmmananda Rao C.V.S. ◽  
Mahesh Sundararajan ◽  
Tapan K. Ghanty ◽  
N. Sivaraman
Keyword(s):  
Solvent Extraction ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Structural Effects ◽  
Actinide Extraction

Strikingly novel effects on pH-modulated actinide extraction by branched H-phosphonates are investigated by solvent extraction combined with DFT.

Solvent and structural effects in tautomeric 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)-pyridones: experimental and quantum chemical study

2014 ◽  
Vol 25 (4) ◽  
pp. 1257-1270 ◽  
Author(s):  
Ismail Ajaj ◽  
Jasmina Markovski ◽  
Jelena Marković ◽  
Maja Jovanović ◽  
Miloš Milčić ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Structural Effects

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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