ArticleThe journal of physical chemistry. B2020
Accurate Computation of the Absorption Spectrum of Chlorophyll
Article in The journal of physical chemistry. B, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 34 papers.
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Who cites it
34 citing papers in PubMed.
- Predicting Molecular Laser Properties from First-Principles Using Machine Learning-Based Nuclear Ensemble Approach Spectra.Journal of chemical theory and computation · 2026Article
- Photophysical Properties of Free, Zinc‑, and Pyridine- Chlorin e6 Trimethyl Ester: A Computational Study with Vibrational Effects.ACS omega · 2026Article
- New chlorophylls designed by theoretical spectroscopy and machine learning.Photosynthesis research · 2025Article
- Three Candidates, Two Peaks: Addressing Conflicting Assignments of Fentanyl Protomers with DMS-UVPD.Journal of the American Society for Mass Spectrometry · 2025Article
- Applying an Anti-Kasha Model Resolves Differences Between Photosynthetic and Artificial Pigments.The journal of physical chemistry. B · 2025Article
- Combined Multireference-Multiscale Approach to the Description of Photosynthetic Reaction Centers.Journal of chemical theory and computation · 2024Article
- Excitation landscape of the CP43 photosynthetic antenna complex from multiscale simulations.Chemical science · 2024Article
- Article
- Environment-dependent chlorophyll-chlorophyll charge transfer states in Lhca4 pigment-protein complex.Frontiers in plant science · 2024Article
- Theoretical Insight into the Effect of Phosphorus Oxygenation on Nonradiative Decays: Comparative Analysis of P-Bridged Stilbene Analogs.ACS physical chemistry Au · 2023Article
- Reaction Center Excitation in Photosystem II: From Multiscale Modeling to Functional Principles.Accounts of chemical research · 2023Article
- Excitation Energy Transfer between Higher Excited States of Photosynthetic Pigments: 2. ChlorophyllACS omega · 2023Article
- Excitation Energy Transfer between Higher Excited States of Photosynthetic Pigments: 1. Carotenoids Intercept and Remove B Band Excitations.ACS omega · 2023Article
- Triplet states in the reaction center of Photosystem II.Chemical science · 2023Article
- Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation.Nature plants · 2023Article
- Directing the size and dispersity of silver nanoparticles with kudzu leaf extracts.RSC advances · 2023Article
- A Pyridyl-1,2-azaborine Ligand for Phosphorescent Neutral Iridium(III) Complexes.Inorganic chemistry · 2023Article
- Four Routes to 3-(3-Methoxy-1,3-dioxopropyl)pyrrole, a Core Motif of Rings C and E in Photosynthetic Tetrapyrroles.Molecules (Basel, Switzerland) · 2023Article
- Quasiparticle Self-ConsistentJournal of chemical theory and computation · 2022Article
- Femtosecond anisotropy excitation spectroscopy to disentangle the QChemical science · 2022Article
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The ability to accurately compute low-energy excited states of chlorophylls is critically important for understanding the vital roles they play in light harvesting, energy transfer, and photosynthetic charge separation. The challenge for quantum chemical methods arises both from the intrinsic complexity of the electronic structure problem and, in the case of biological models, from the need to account for protein-pigment interactions. In this work, we report electronic structure calculations of unprecedented accuracy for the low-energy excited states in the Q and B bands of chlorophyll
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