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DI Kate Simms is on the fast track to nowhere. Five years ago she helped a colleague when she shouldn't have. She's been clawing her way back from a demotion ever since. Professor Nick Fennimore is a failed genetics student, successful gambler, betting agent, crime scene officer, chemistry graduate, toxicology specialist and one-time scientific advisor to the National Crime Faculty. He is the best there is, but ever since his wife and daughter disappeared he's been hiding away in Scotland, working as a forensics lecturer. In Manchester, drug addicts are turning up dead and Simms' superior is only too pleased to hand the problem to her. Then a celebrity dies and the media gets interested. Another overdose victim shows up, but this time the woman has been systematically beaten and all identifying features removed. The evidence doesn't add up; Simms' superiors seem to be obstructing her investigation; and the one person she can't afford to associate with is the one man who can help: Fennimore.
The so-called reaction path (RP) with respect to the potential energy or the Gibbs energy ("free enthalpy") is one of the most fundamental concepts in chemistry. It significantly helps to display and visualize the results of the complex microscopic processes forming a chemical reaction. This concept is an implicit component of conventional transition state theory (TST). The model of the reaction path and the TST form a qualitative framework which provides chemists with a better understanding of chemical reactions and stirs their imagination. However, an exact calculation of the RP and its neighbourhood becomes important when the RP is used as a tool for a detailed exploring of reaction mecha...
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For the New Century Issue of the journal "Theroretical Chemistry Accounts" the advisory editors identified papers from the first century of theoretical chemistry and discussed their importance for the twentieth century with an eye towards the twenty-first century. Sixty-six such perspectives are published in the New Century Issue. To make this unique collection available to younger scientists for entertaining reading and re-reading of the original publications, the publisher decided to reprint a special edition of the issue.