Unraveling Atomic Contributions to the London Dispersion Energy: Insights into Molecular Recognition and Reactivity-Reference-Cited by-同舟云学术

Unraveling Atomic Contributions to the London Dispersion Energy: Insights into Molecular Recognition and Reactivity

Published:2024-02-07 Issue:5 Volume:20 Page:1923-1931
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Baldinelli Lorenzo¹,De Angelis Filippo¹²³⁴^ORCID,Bistoni Giovanni¹^ORCID

Affiliation:

1. Dipartmento di Chimica, Biologia e Biotecnologie, Università Degli Studi Di Perugia, Via Elce di sotto, 8, Perugia 06123, Italy

2. Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Chimiche “Giulio Natta” (CNR-SCITEC), Perugia 06123, Italy

3. Department of Mechanical Engineering, College of Engineering, Prince Mohammad Bin Fahd University, Al Khobar 31952, Saudi Arabia

4. SKKU Institute of Energy Science and Technology (SIEST), Sungkyunkwan University, Suwon 440-746, Korea

Funder

Universit? degli Studi di Perugia

Ministero dell'Universit? e della Ricerca

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00977

Reference54 articles.

1. London dispersion forces in sterically crowded inorganic and organometallic molecules

2. London Dispersion in Molecular Chemistry-Reconsidering Steric Effects

3. London Dispersion Interactions Rather than Steric Hindrance Determine the Enantioselectivity of the Corey–Bakshi–Shibata Reduction

4. A New Ligand Design Based on London Dispersion Empowers Chiral Bismuth–Rhodium Paddlewheel Catalysts

5. On the Importance of the Dispersion Energy for the Thermodynamic Stability of Molecules

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