Comparison of Spin-Flip TDDFT-Based Conical Intersection Approaches with XMS-CASPT2-Reference-Cited by-同舟云学术

Comparison of Spin-Flip TDDFT-Based Conical Intersection Approaches with XMS-CASPT2

Published:2020-04-17 Issue:5 Volume:16 Page:3253-3263
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Winslow Max¹,Cross Warren B.¹^ORCID,Robinson David¹^ORCID

Affiliation:

1. Department of Chemistry and Forensics, School of Science and Technology, Nottingham Trent University, Clifton Lane, Nottingham NG11 8NS, United Kingdom

Funder

Nottingham Trent University

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00917

Reference49 articles.

1. Dye-Sensitized Solar Cells

2. Fluorescent Labeling of Biomolecules with Organic Probes

3. Fluorescent chemosensors: the past, present and future

4. Towards Unimolecular Luminescent Solar Concentrators: Bodipy-Based Dendritic Energy-Transfer Cascade with Panchromatic Absorption and Monochromatized Emission

5. BODIPY dyes in photodynamic therapy

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