A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes

Carlos Nieto-Draghi; Guillaume Fayet; Benoit Creton; Xavier Rozanska; Patricia Rotureau; Jean-Charles de Hemptinne; Philippe Ungerer; Bernard Rousseau; Carlo Adamo

doi:10.1021/acs.chemrev.5b00215

journal article Dec 01, 2015

A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes

Carlos Nieto-Draghi Guillaume Fayet Benoit Creton Xavier Rozanska Patricia Rotureau Jean-Charles de Hemptinne

Philippe Ungerer Bernard Rousseau Carlo Adamo

Chemical Reviews Vol. 115 No. 24 pp. 13093-13164 · American Chemical Society (ACS)

View at Publisher Save 10.1021/acs.chemrev.5b00215

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References

Details

Published: Dec 01, 2015
Vol/Issue: 115(24)
Pages: 13093-13164

Authors

C

Carlos Nieto-Draghi

IFP Energies nouvelles, 1 et 4 avenue de Bois-Préau, 92852 Rueil-Malmaison, France

G

Guillaume Fayet

INERIS, Parc Technologique Alata, BP2, 60550 Verneuil-en-Halatte, France

B

Benoit Creton

IFP Energies nouvelles, 1 et 4 avenue de Bois-Préau, 92852 Rueil-Malmaison, France

X

Xavier Rozanska

Materials Design S.A.R.L., 18, rue de Saisset, 92120 Montrouge, France

P

Patricia Rotureau

INERIS, Parc Technologique Alata, BP2, 60550 Verneuil-en-Halatte, France

J

Jean-Charles de Hemptinne

IFP Energies nouvelles, 1 et 4 avenue de Bois-Préau, 92852 Rueil-Malmaison, France

P

Philippe Ungerer

Materials Design S.A.R.L., 18, rue de Saisset, 92120 Montrouge, France

B

Bernard Rousseau

Laboratoire de Chimie-Physique, Université Paris Sud, UMR 8000 CNRS, Bât. 349, 91405 Orsay Cedex, France

C

Carlo Adamo

Institut de Recherche Chimie Paris, PSL Research University, CNRS, Chimie Paristech, 11 rue P. et M. Curie, F-75005 Paris, France; Institut Universitaire de France, 103 Boulevard Saint Michel, F-75005 Paris, France

Funding

Agence Nationale de la Recherche Award: ANR-10-CDII-007

Cite This Article

Carlos Nieto-Draghi, Guillaume Fayet, Benoit Creton, et al. (2015). A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes. Chemical Reviews, 115(24), 13093-13164. https://doi.org/10.1021/acs.chemrev.5b00215

A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes

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