Search

Categories

Materials Science

(1)

Organic Chemistry

(1)

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Last 12 months

(2)

Last 6 months

(1)

Keywords

interoperability

Authors

2 results in Keywords: interoperability

Organic Chemistry

ELNdataBridge: Facilitating Data Exchange and Collaboration by Linking Electronic Lab Notebooks via API

Martin Starman, Fabian Kirchner, Martin Held, Catriona Eschke, Sayed-Ahmad Sahim, Regine Willumeit-Römer, Nicole Jung, Stefan Bräse

Version 1 posted 28 June 2024

167

Downloads

Theoretical and Computational Chemistry

FROG : exploiting all-atom Molecular Dynamics trajectories to calculate linear and non-linear optical responses of molecular liquids within Dalton’s QM/MM polarizable embedding scheme

Le Breton Guillaume, Bonhomme Oriane, Benichou Emmanuel, Claire Loison

Version 1 posted 29 March 2024

165

Downloads