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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; ...
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) ...