Adding explicit solvent molecules to continuum solvent calculations for the calculation of aqueous acid dissociation constants

CP Kelly, CJ Cramer, DG Truhlar - The Journal of Physical …, 2006 - ACS Publications
Aqueous acid dissociation free energies for a diverse set of 57 monoprotic acids have been
calculated using a combination of experimental and calculated gas and liquid-phase free …
被引用次数：484 相关文章
[PDF] umn.edu

[PDF][PDF] Adding Explicit Solvent Molecules to Continuum Solvent Calculations for the Calculation of Aqueous Acid Dissociation Constants

CP Kelly, CJ Cramer, DG Truhlar - 2006 - comp.chem.umn.edu
Since Bjerrum's and Hammett's early work on substituent effects and solvent effects on
acidity, 1 there has been continuing and substantial interest in predicting pKa constants …

Adding explicit solvent molecules to continuum solvent calculations for the calculation of aqueous acid dissociation constants

CP Kelly, CJ Cramer, DG Truhlar - Journal of Physical Chemistry …, 2006 - experts.umn.edu
Aqueous acid dissociation free energies for a diverse set of 57 monoprotic acids have been
calculated using a combination of experimental and calculated gas and liquid-phase free …

Adding explicit solvent molecules to continuum solvent calculations for the calculation of aqueous acid dissociation constants.

CP Kelly, CJ Cramer, DG Truhlar - The Journal of Physical …, 2006 - europepmc.org
Aqueous acid dissociation free energies for a diverse set of 57 monoprotic acids have been
calculated using a combination of experimental and calculated gas and liquid-phase free …

[引用][C] Adding Explicit Solvent Molecules to Continuum Solvent Calculations for the Calculation of Aqueous Acid Dissociation Constants

CP Kelly, CJ Cramer… - Journal of Physical …, 2006 - ui.adsabs.harvard.edu
Adding Explicit Solvent Molecules to Continuum Solvent Calculations for the Calculation of
Aqueous Acid Dissociation Constants - NASA/ADS Now on home page ads icon ads Enable …
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[HTML][HTML] Adding Explicit Solvent Molecules to Continuum Solvent Calculations for the Calculation of Aqueous Acid Dissociation Constants

CP Kelly, CJ Cramer, DG Truhlar - The journal of physical …, 2006 - ncbi.nlm.nih.gov
Aqueous acid dissociation free energies for a diverse set of 57 monoprotic acids have been
calculated using a combination of experimental and calculated gas and liquid-phase free …

[引用][C] Adding Explicit Solvent Molecules to Continuum Solvent Calculations for the Calculation of Aqueous Acid Dissociation Constants

CP Kelly, CJ Cramer, DG Truhlar - The Journal of Physical Chemistry A, 2006 - cir.nii.ac.jp
Adding Explicit Solvent Molecules to Continuum Solvent Calculations for the Calculation of
Aqueous Acid Dissociation Constants | CiNii Research CiNii 国立情報学研究所 学術情報 …

Adding explicit solvent molecules to continuum solvent calculations for the calculation of aqueous acid dissociation constants

CP Kelly, CJ Cramer… - The journal of physical …, 2006 - pubmed.ncbi.nlm.nih.gov
Aqueous acid dissociation free energies for a diverse set of 57 monoprotic acids have been
calculated using a combination of experimental and calculated gas and liquid-phase free …
[PDF] academia.edu

[PDF][PDF] Adding Explicit Solvent Molecules to Continuum Solvent Calculations for the Calculation of Aqueous Acid Dissociation Constants

CP Kelly, CJ Cramer, DG Truhlar - J. Phys. Chem. A, 2006 - academia.edu
Aqueous acid dissociation free energies for a diverse set of 57 monoprotic acids have been
calculated using a combination of experimental and calculated gas and liquid-phase free …
[PDF] umn.edu

[PDF][PDF] Adding Explicit Solvent Molecules to Continuum Solvent Calculations for the Calculation of Aqueous Acid Dissociation Constants

CP Kelly, CJ Cramer, DG Truhlar - 2006 - truhlar.chem.umn.edu
Since Bjerrum's and Hammett's early work on substituent effects and solvent effects on
acidity, 1 there has been continuing and substantial interest in predicting pKa constants …