Perspective on Theoretical and Experimental Advances in Atmospheric Photochemistry

BFE Curchod, AJ Orr-Ewing - The Journal of Physical Chemistry A, 2024 - ACS Publications
Research that explores the chemistry of Earth's atmosphere is central to the current
understanding of global challenges such as climate change, stratospheric ozone depletion …

AtmoSpec–A Tool to Calculate Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds

D Hollas, BFE Curchod - The Journal of Physical Chemistry A, 2024 - ACS Publications
Characterizing the photolysis processes undergone by transient volatile organic compounds
(VOCs) in the troposphere requires the knowledge of their photoabsorption cross-section …

Core-excited states and x-ray absorption spectra from multireference algebraic diagrammatic construction theory

IM Mazin, AY Sokolov - Journal of Chemical Theory and …, 2023 - ACS Publications
We report the development and benchmark of multireference algebraic diagrammatic
construction theory (MR-ADC) for the simulations of core-excited states and X-ray absorption …
IM Mazin - 2023 - search.proquest.com
Algebraic diagrammatic construction (ADC) theory has been found to be a relatively low-cost
method with attractive features for the study of photochemical problems. However, because …