Relaxation of Kohn–Sham orbitals of organometallic complexes during the approach of a nucleophilic reactant (or an electron approach): the case of [sal(ph)en]2 Zn complexes-Reference-Cited by-同舟云学术

Relaxation of Kohn–Sham orbitals of organometallic complexes during the approach of a nucleophilic reactant (or an electron approach): the case of [sal(ph)en]2 Zn complexes

Published:2019-11-28 Issue:1 Volume:139 Page:
ISSN:1432-881X
Container-title:Theoretical Chemistry Accounts
language:en
Short-container-title:Theor Chem Acc

Author:

Lamine Walid^ORCID,Boughdiri Salima^ORCID,Christ Lorraine^ORCID,Merzoud Lynda^ORCID,Morell Christophe^ORCID,Chermette Henry^ORCID

Funder

Agence Nationale de la Recherche

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/s00214-019-2511-5.pdf

Reference25 articles.

1. Lamine W, Boughdiri S, Christ L, Morell C, Chermette H (2019) J Comput Chem 40:717–725

2. Huheey JE, Keiter EA, Keiter RL (1993) Inorganic chemistry: principles of structure and reactivity. Harper Collins College Publishers, New York

3. Morell C, Grand A, Toro-Labbé A (2005) J Phys Chem A 109:205–212

4. Kleij AW, Kuil M, Tooke DM, Lutz M, Spek AL, Reek JNH (2005) Chem Eur J 11:4743–4750

5. Belmonte MM, Wezenberg SJ, Haak RM, Anselmo D, Escudero-Adán EC, Benet-Buchholz J, Kleij AW (2010) Dalton Trans 39:4541–4550

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Insight into the Varying Reactivity of Different Catalysts for CO2 Cycloaddition into Styrene Oxide: An Experimental and DFT Study;International Journal of Molecular Sciences;2023-01-20

2. Density functional theory, chemical reactivity, and the Fukui functions;Foundations of Chemistry;2022-01-17

3. DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science;Physical Chemistry Chemical Physics;2022