Calculations of pKa values of carboxylic acids in aqueous solution using Möller-Plesset perturbation theory

2005 ◽  
Vol 2 (1) ◽  
pp. 65-70 ◽  
Author(s):  
M. Namazian ◽  
S. Halvani
Keyword(s):  
Aqueous Solution ◽  
Perturbation Theory ◽  
Carboxylic Acids ◽  
Pka Values ◽  
Moller Plesset ◽  
Plesset Perturbation Theory

Møller–Plesset perturbation theory calculations of the pKa values for a range of carboxylic acids

2006 ◽  
Vol 758 (2-3) ◽  
pp. 275-278 ◽  
Author(s):  
Mansoor Namazian ◽  
Forogh Kalantary-Fotooh ◽  
Mohammad R. Noorbala ◽  
Debra J. Searles ◽  
Michelle L. Coote
Keyword(s):  
Perturbation Theory ◽  
Carboxylic Acids ◽  
Pka Values ◽  
Moller Plesset ◽  
Plesset Perturbation Theory

scholarly journals Calculation of two-electron reduction potentials for some quinone derivatives in aqueous solution using Møller–Plesset perturbation theory

2006 ◽  
Vol 759 (1-3) ◽  
pp. 245-247 ◽  
Author(s):  
Mansoor Namazian ◽  
Samira Siahrostami ◽  
Mohammad R. Noorbala ◽  
Michelle L. Coote
Keyword(s):  
Aqueous Solution ◽  
Perturbation Theory ◽  
Reduction Potentials ◽  
Electron Reduction ◽  
Moller Plesset ◽  
Plesset Perturbation Theory

scholarly journals A scaled explicitly correlated F12 correction to second-order Møller–Plesset perturbation theory

2021 ◽  
Vol 154 (4) ◽  
pp. 044101
Author(s):  
L. Urban ◽  
T. H. Thompson ◽  
C. Ochsenfeld
Keyword(s):  
Perturbation Theory ◽  
Second Order ◽  
Explicitly Correlated ◽  
Moller Plesset ◽  
Plesset Perturbation Theory

Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory

2012 ◽  
Vol 137 (4) ◽  
pp. 044103 ◽  
Author(s):  
Edward G. Hohenstein ◽  
Robert M. Parrish ◽  
Todd J. Martínez
Keyword(s):  
Perturbation Theory ◽  
Third Order ◽  
Density Fitting ◽  
Moller Plesset ◽  
Plesset Perturbation Theory

Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller–Plesset perturbation theory

2008 ◽  
Vol 128 (14) ◽  
pp. 144304 ◽  
Author(s):  
Rajat K. Chaudhuri ◽  
Karl F. Freed ◽  
Sudip Chattopadhyay ◽  
Uttam Sinha Mahapatra
Keyword(s):  
Perturbation Theory ◽  
Potential Energy ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
Virtual Orbital ◽  
Moller Plesset ◽  
Plesset Perturbation Theory
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