A computationally-derived model for the solvatochromism of p-phenolates with high predictive power

2018 ◽  
Vol 20 (26) ◽  
pp. 18127-18132 ◽  
Author(s):  
Raúl Mera-Adasme ◽  
Moisés Domínguez
Keyword(s):  
Wave Function ◽  
Ground State ◽  
Predictive Power ◽  
Ground State Wave Function ◽  
State Wave ◽  
High Predictive Power ◽  
Highly Correlated

We report that the positive, reverse or negative solvatochromism of p-phenolate-based dyes is highly correlated with the multireferential (MR) character of their ground-state wave function, with negative compounds presenting the highest degeneracy.

The qualitative behavior of the ground state wave function of H2+

1981 ◽  
Vol 75 (2) ◽  
pp. 843-846 ◽  
Author(s):  
T. Hoffmann‐Ostenhof ◽  
John D. Morgan
Keyword(s):  
Wave Function ◽  
Ground State ◽  
Ground State Wave Function ◽  
Qualitative Behavior ◽  
State Wave

scholarly journals Ground-state wave function of plutonium in PuSb as determined via x-ray magnetic circular dichroism

2015 ◽  
Vol 91 (3) ◽  
Author(s):  
M. Janoschek ◽  
D. Haskel ◽  
J. Fernandez-Rodriguez ◽  
M. van Veenendaal ◽  
J. Rebizant ◽  
...  
Keyword(s):  
Wave Function ◽  
Circular Dichroism ◽  
Ground State ◽  
Magnetic Circular Dichroism ◽  
Ground State Wave Function ◽  
X Ray ◽  
State Wave ◽  
Circular Dichroïsm
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