发明名称 Molecular modeling method and system
摘要 A molecular modeling method and system to provide a dielectric function that reflects the plurality of models simultaneously used in molecular modeling. For interactions similar to those used during the development of a charge model, the dielectric is similar to the charge model dielectric. In a second embodiment, an approximation for electrostatic/electrodynamics modeling is provided that analyzes charge distribution and determines groups of charges that can be treated as a whole at moderate distances.
申请公布号 US7797144(B2) 申请公布日期 2010.09.14
申请号 US20050084307 申请日期 2005.03.18
申请人 ZOEBISCH EVE 发明人 ZOEBISCH EVE
分类号 G06G7/58;G01N33/48 主分类号 G06G7/58
代理机构 代理人
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