Large-scale comparison of 3d and 4d transition metal complexes illuminates the reduced effect of exchange on second-row spin-state energetics.

Nandy, Aditya; Chu, Daniel B K; Harper, Daniel R; Duan, Chenru; Arunachalam, Naveen; Cytter, Yael; Kulik, Heather J

Nandy, Aditya; Chu, Daniel B K; Harper, Daniel R; Duan, Chenru; Arunachalam, Naveen; Cytter, Yael; Kulik, Heather J.

Affiliation

Nandy A; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. hjkulik@mit.edu and Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
Chu DBK; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. hjkulik@mit.edu.
Harper DR; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. hjkulik@mit.edu and Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
Duan C; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. hjkulik@mit.edu and Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
Arunachalam N; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. hjkulik@mit.edu.
Cytter Y; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. hjkulik@mit.edu.
Kulik HJ; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. hjkulik@mit.edu.

Phys Chem Chem Phys ; 22(34): 19326-19341, 2020 Sep 08.

Article in En | MEDLINE | ID: mdl-32820781

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2020 Document type: Article Affiliation country: United States

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