ArticleThe journal of physical chemistry letters2020
On the Theoretical Determination of Photolysis Properties for Atmospheric Volatile Organic Compounds.
Article in The journal of physical chemistry letters, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
What it found
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Who cites it
13 citing papers in PubMed.
- Benchmarking Electronic-Structure Methods for the Description of Dark Transitions in Carbonyls at and Beyond the Franck-Condon Point.The journal of physical chemistry. A · 2025Article
- Selecting Initial Conditions for Trajectory-Based Nonadiabatic Simulations.Accounts of chemical research · 2025Article
- AtmoSpec-A Tool to Calculate Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds.The journal of physical chemistry. A · 2024Article
- Perspective on Theoretical and Experimental Advances in Atmospheric Photochemistry.The journal of physical chemistry. A · 2024Review
- Kinetic Study and Catalytic Activity of CrMaterials (Basel, Switzerland) · 2024Article
- A Theoretical Perspective on the Photochemistry of Boron-Nitrogen Lewis Adducts.The journal of physical chemistry. A · 2024Article
- On the Wavelength-Dependent Photochemistry of the Atmospheric Molecule CFACS earth & space chemistry · 2023Article
- Deciphering the Influence of Ground-State Distributions on the Calculation of Photolysis Observables.The journal of physical chemistry. A · 2023Article
- A Theoretical Perspective on the Actinic Photochemistry of 2-Hydroperoxypropanal.The journal of physical chemistry. A · 2022Article
- Reconstruction of Nuclear Ensemble Approach Electronic Spectra Using Probabilistic Machine Learning.Journal of chemical theory and computation · 2022Article
- Calculating Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds.ACS earth & space chemistry · 2022Article
- Caveat when using ADC(2) for studying the photochemistry of carbonyl-containing molecules.Physical chemistry chemical physics : PCCP · 2021Article
- Multiconfigurational Quantum Chemistry Determinations of Absorption Cross Sections (σ) in the Gas Phase and Molar Extinction Coefficients (ε) in Aqueous Solution and Air-Water Interface.Journal of chemical theory and computation · 2021Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Volatile organic compounds (VOCs) are ubiquitous atmospheric molecules that generate a complex network of chemical reactions in the troposphere, often triggered by the absorption of sunlight. Understanding the VOC composition of the atmosphere relies on our ability to characterize all of their possible reaction pathways. When considering reactions of (transient) VOCs with sunlight, the availability of photolysis rate constants, utilized in general atmospheric models, is often out of experimental reach due to the unstable nature of these molecules. Here, we show how recent advances in computational photochemistry allow us to calculate
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