Machine Learning-Assisted Selection of Active Spaces for Strongly Correlated Transition Metal Systems
Author:
Affiliation:
1. J. Heyrovsky Institute of Physical Chemistry, v.v.i., Academy of Sciences of the Czech Republic, Dolejskova 3, 18223 Prague 8, Czech Republic
Funder
Basic Energy Sciences
Grantov?? Agentura ??esk?? Republiky
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00235
Reference105 articles.
1. A survey of the mechanisms of action of anticancer transition metal complexes
2. Recent development of transition metal complexes with in vivo antitumor activity
3. Transition Metal Complexes and Photodynamic Therapy from a Tumor-Centered Approach: Challenges, Opportunities, and Highlights from the Development of TLD1433
4. Application of Metal Coordination Chemistry To Explore and Manipulate Cell Biology
5. Photochemistry of Transition Metal Hydrides
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