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Attention-deficit/hyperactivity disorder in relation to addictive behaviors: a moderated-mediation analysis of personality-risk factors and sex
Introduction: Research has shown that those with attention-deficit/hyperactivity disorder (ADHD) have an increased risk for addiction disorders like alcoholism and substance abuse. What is less clear is the mechanism(s) ...
Validating potential energy surfaces for classical trajectory calculations
(Royal Society of Chemistry, 2015)
Two possible methods for probing flaws in empirical potential energy surfaces are examined, using a simple unimolecular isomerisation as an example. One is a heuristic estimate of the degree of chaos in a vibrating molecule; ...