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Multiple free energies from a single simulation:Extending enveloping distribution sampling to non-ov
【机 构】
:
Swiss Federal Institute of Technology,ETH,8093 Zurich,Switzerland
【出 处】
:
The International Conference on Theory and Applications of C
【发表日期】
:
2008年1期
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Theoretical studies on the structure design and property evaluation of imidazole and pyrazole compounds as new energetic materials have been carried out in this paper.Ten nitroimidazole and nine nitro
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