Search

Categories

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(2)

Last 3 years

(1)

Keywords

DFT-D

Authors

3 results in Keywords: DFT-D

Theoretical and Computational Chemistry

Non-Covalent Interactions Atlas Benchmark Data Sets 2: Hydrogen Bonding in an Extended Chemical Space

Version 1 posted 06 July 2020

673

Downloads

Theoretical and Computational Chemistry

Extension and Evaluation of the D4 London Dispersion Model for Periodic Systems

Eike Caldeweyher, Jan-Michael Mewes, Sebastian Ehlert, Stefan Grimme

Version 1 posted 25 November 2019

1,079

Downloads

Theoretical and Computational Chemistry

Non-Covalent Interactions Atlas Benchmark Data Sets 5: London Dispersion in an Extended Chemical Space

Version 1 posted 12 January 2022

468

Downloads