Prediction and Calculation of Crystal Structures

Our article “DiCrystal Structure Prediction, Density Functional Theory, Hartree-Fock, Dispersion Correction, Counterpoise Correctionspersion Corrected Hartree-Fock and Density Functional Theory for Organic Crystal Structure Prediction” in the Topics of Current Chemistry book “Prediction and Calculation of Crystal Structures” has been downloaded over 1,000 times.

Previously, it has been mentioned by the platform Computational Chemistry Highlights as important publication of the Leibniz prize winner Stefan Grimme.

Prediction and Calculation of Crystal Structures