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注:本文内容对应molclus官网上最新版molclus程序包里的genmer组件genmer:生成团簇初始构型结合molclus做团簇结构搜索的超便捷工具genmer: An ultra-convenient too.,计算化学公社 » 论坛首页 › 理论与计算化学 (Theoretical and Computational Chemistry) › 量子化学 (Quantum Chemistry) › 什么是团簇模型,簇模型? ABCluster 3.0发布! 各种团簇+构象搜索+内置xTB+.- 量子化学 (Quantum Chemistry) - 计算化学公社
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