Theoretical Chemistry Accounts

Theoretical Chemistry Accounts

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For the New Century Issue of the journal qTheroretical Chemistry Accountsq 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.... Published online: 21 June 1999 Perspective on a€œThe activated complex in chemical reactionsa€ Hall-Atwater Laboratories ... Guided by an intuitive choice of approximations which shows remarkable chemical insight into the topic of aromaticity, ... It was only 4 years later that the epochal quantum theoretical study by Erich HA¼ckel about the electronic structure of ... Only 1 year after HA¼ckel published his two papers on ethylene, Pauling [10] and Slater [11] independently developed aanbsp;...

Title:Theoretical Chemistry Accounts
Author: Christopher Cramer, D.G. Truhlar
Publisher:Springer Science & Business Media - 2013-11-11

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