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Selecting Initial Conditions for Trajectory-Based Nonadiabatic Simulations.

Acc Chem Res

January 2025

Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, United Kingdom.

ConspectusPhotochemical reactions have always been the source of a great deal of mystery. While classified as a type of chemical reaction, no doubts are allowed that the general tenets of ground-state chemistry do not directly apply to photochemical reactions. For a typical chemical reaction, understanding the critical points of the ground-state potential (free) energy surface and embedding them in a thermodynamics framework is often enough to infer reaction yields or characteristic time scales.

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Objectives: Acute respiratory illnesses have a disproportionate impact on older people, and especially those living in residential aged care facilities where transmission risks are heightened. Additionally, staff in these facilities have been working under challenging conditions, often ill-equipped in terms of both training and resources to successfully manage the outbreaks of these illnesses. This paper examines the actions of an Australian public health unit to improve influenza outbreak management in residential aged care facilities and critiques the outcomes through a contemporary lens.

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Working memory is associated with general intelligence and is crucial for performing complex cognitive tasks. Neuroimaging investigations have recognized that working memory is supported by a distribution of activity in regions across the entire brain. Identification of these regions has come primarily from general linear model analyses of statistical parametric maps to reveal brain regions whose activation is linearly related to working memory task conditions.

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Background: Evidence suggests that by recognising the psychosocial component of illness as equally important to the biological components, care becomes more holistic, and patients can benefit. Providing this type of care requires collaboration among health professionals, rather than working in isolation, to achieve better outcomes. However, there is a lack of evidence about the implementation of integrated health care.

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Background: The common marmoset (Callithrix jacchus) is an important animal model in neuroscience and neurological diseases (e.g., Alzheimer's disease - AD), as they present primate-specific evolutionary features such as an expanded frontal cortex.

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