Mechanical stress pulls cyclisation into shape | Chemistry World http://www.rsc.org/chemistryworldmechanical-stress-pu... Mechanical stress pulls cyclisation into shape 3 March 2014

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Ab initio path integral molecular dynamics: Basic ideas Dominik Marx and Michele Parrinello Max-Planck-Institut fu¨r Festko¨perforschung, Heisenbergstr. 1, 70569 Stuttgart, Germany ~Received 12 October 1995; accepted 6

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Published on WebPeptide Synthesis in Aqueous Environments: The Role of Extreme Conditions on Amino Acid Activation Nisanth N. Nair,* Eduard Schreiner,† and Dominik Marx Lehrstuhl fu¨r Theoretische Chemie,

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• Chemistry
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• Bernd Michael Rode

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THE JOURNAL OF CHEMICAL PHYSICS 122, 144101 共2005兲 Plane wave/pseudopotential implementation of excited state gradients in density functional linear response theory: A new route via implicit differentiation Nikos L.

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