Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics-Reference-Cited by-同舟云学术

Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics

Author:

Brémond Éric¹^ORCID,Savarese Marika²^ORCID,Rega Nadia³⁴⁵^ORCID,Ciofini Ilaria²^ORCID,Adamo Carlo²⁶^ORCID

Affiliation:

1. Université de Paris, ITODYS, CNRS, F-75006 Paris, France

2. Chimie ParisTech-PSL, CNRS, Institute of Chemistry for Health and Life Sciences, F-75005 Paris, France

3. Dipartimento di Scienze Chimiche, Università di Napoli Federico II, Complesso Universitario di M.S. Angelo, via Cintia, I-80126 Napoli, Italy

4. Scuola Superiore Meridionale, Largo S. Marcellino 10, I-80138 Napoli, Italy

5. Centro Interdipartimentale di Ricerca sui Biomateriali (CRIB), Piazzale Tecchio 80, I-80125, Napoli, Italy

6. Institut Universitaire de France, 103 Boulevard Saint Michel, F-75005 Paris, France

Funder

Laboratoire d'Excellence SEAM

Agence Nationale de la Recherche

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

Reference99 articles.

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