Update README.md

Added references and information about the DN_data file.

README.md

@@ -23,6 +23,9 @@ The experimental DN values must be provided in a separate file containing three
 
 inert_solvent;reference_acid;solvent;donor_number
 
+The file DN_data.csv is an example containing the data used in "Calculation of donor numbers: computational estimates for the Lewis basicity of solvents.", R. A. Miranda-Quintana, J. Smiatek; J. Mol. Liquids (submitted). To further reference this data please also cite:
+"Enthalpic contributions to solvent–solute and solvent–ion interactions: Electronic perturbation as key to the understanding of molecular attraction", J. Smiatek, J. Chem. Phys., 150, 174112, (2019).
+
 Currently, the ionization energies and electron affinities of the inert solvent, reference acid, and solvents, are included as dictionaries in the donor_number_out.py file.
 
 # Reference
@@ -33,3 +36,18 @@ Please, cite both the associated manuscript:
 And this repository:
 
 DOI: (to be added after each release)
+
+# Further reading
+Some relevant references are:
+
+1- C-DFT-based solvation models:
+
+"Enthalpic contributions to solvent–solute and solvent–ion interactions: Electronic perturbation as key to the understanding of molecular attraction", J. Smiatek, J. Chem. Phys., 150, 174112, (2019).
+
+"Specific Ion Effects and the Law of Matching Solvent Affinities: A Conceptual Density Functional Theory Approach", J. Smiatek, J. Phys. Chem. B, 124, 2191, (2020).
+
+2- Perturbations in C-DFT:
+
+"Fractional electron number, temperature, and perturbations in chemical reactions", R. A. Miranda-Quintana, P. W. Ayers, Phys. Chem. Chem. Phys., 18, 15070, (2016).
+
+"Perturbed reactivity descriptors: the chemical hardness", R. A. Miranda-Quintana, Theo. Chem. Acc., 136, 76, (2017).