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Paul L. A. Popelier
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Paul L. A. Popelier
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Paul L. A. Popelier
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1
Enhancing Carbon Acid pK<sub>a</sub> Prediction by Augmentation of Sparse Experimental Datasets with Accurate AIBL (QM) Derived Values
by
Jeffrey Plante
,
Beth A. Caine
,
Paul
L
.
A
.
Popelier
Published 2021-02-01
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Article
2
Prediction of Aqueous pKa Values for Guanidine-Containing Compounds Using Ab Initio Gas-Phase Equilibrium Bond Lengths
by
Beth A. Caine
,
Christophe Dardonville
,
Paul
L
.
A
.
Popelier
Published 2018-04-01
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Article
3
An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation
by
Ibon Alkorta
,
Arnaldo F. Silva
,
Paul
L
.
A
.
Popelier
Published 2020-06-01
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Article
4
Does the Intra‐Atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy?
by
Benjamin C. B. Symons
,
Dominic J. Williamson
,
Campbell M. Brooks
,
Alex L. Wilson
,
Prof.
Paul
L
.
A
.
Popelier
Published 2019-05-01
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Article
5
Does the Intra‐atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy?
by
Benjamin C. B. Symons
,
Dominic J. Williamson
,
Campbell M. Brooks
,
Alex L. Wilson
,
Prof.
Paul
L
.
A
.
Popelier
Published 2019-05-01
Get full text
Article
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