从容 发表于 2025-4-1 03:15:43

New Developments in Plane-Wave Based , Calculationsbe localized in a single small region of space embedded within a large chemically inert bath, is discussed (.. 5351 (2002)) that significantly enhances the ability of plane-wave based techniques to study reactions in biological systems.
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查看完整版本: Titlebook: Bridging the Time Scales; Molecular Simulation Peter Nielaba,Michel Mareschal,Giovanni Ciccotti Book 2002 Springer-Verlag Berlin Heidelberg