The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building.

By F. Dupradeau, Adrien Pigache, Thomas Zaffran, Corentin Savineau, Rodolphe Lelong, Nicolas Grivel, D. Lelong, Wilfried Rosanski, P. Cieplak. Physical Chemistry, Chemical Physics - PCCP, 2010

857 citations recorded by the source corpus.

Subfields: Aerospace Engineering, Biomedical Engineering, Nuclear and High Energy Physics

View Paper: https://www.semanticscholar.org/paper/54a7d3791bd30182699e464e94e44ab9d89eda61

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

1. Enguerran Vanquelef
2. Sabrina Simon
3. Gaelle Marquant
4. Elodie Garcia
5. Geoffroy Klimerak
6. J. Delepine
7. P. Cieplak
8. F. Dupradeau

Citations in the corpus

• R.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments (2011, methodology): “We also summarized many aspects related to RESP and ESP charge derivation in the previously published articles about the R.E.DD.B. database and the R.E.D. tools (31,32).”