Self-Consistent Reaction Field Calculations of Aqueous Al3+, Fe3+, and Si4+:  Calculated Aqueous-Phase Deprotonation Energies Correlated with Experimental ln(Ka) and pKa

2001 ◽  
Vol 105 (38) ◽  
pp. 8756-8762 ◽  
Author(s):  
J. D. Kubicki
Keyword(s):  
Aqueous Phase ◽  
Reaction Field ◽  
Self Consistent

A multiconfigurational self‐consistent reaction‐field method

1988 ◽  
Vol 89 (5) ◽  
pp. 3086-3095 ◽  
Author(s):  
Kurt V. Mikkelsen ◽  
Hans Ågren ◽  
Hans Jo/rgen Aa. Jensen ◽  
Trygve Helgaker
Keyword(s):  
Field Method ◽  
Reaction Field ◽  
Self Consistent

The iterative self-consistent reaction-field method: The refractive index of pure water

2010 ◽  
Vol 111 (4) ◽  
pp. 904-913 ◽  
Author(s):  
Kristian O. Sylvester-Hvid ◽  
Kurt V. Mikkelsen ◽  
Mark A. Ratner
Keyword(s):  
Refractive Index ◽  
Pure Water ◽  
Field Method ◽  
Reaction Field ◽  
Self Consistent

Self‐consistent reaction field calculations of photoelectron binding energies for solvated molecules

1989 ◽  
Vol 90 (11) ◽  
pp. 6422-6435 ◽  
Author(s):  
Carmen Medina‐Llanos ◽  
Hans Ågren ◽  
Kurt V. Mikkelsen ◽  
Hans Jo/rgen Aa. Jensen
Keyword(s):  
Binding Energies ◽  
Reaction Field ◽  
Self Consistent ◽  
Solvated Molecules
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