Technique for incorporating the density functional Hessian into the geometry optimization of biomolecules, solvated molecules, and large floppy molecules.
Technique for incorporating the density functional Hessian into the geometry optimization of biomolecules, solvated molecules, and large floppy molecules.
复制标题
将密度泛函 Hessian 矩阵纳入生物分子、溶剂化分子和大型软盘分子的几何优化中的技术。
DOI：
10.1063/1.1683093
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发表时间：
2004
期刊：
影响因子：
--
通讯作者：
Maslen,PE
中科院分区：
文献类型：
--
作者：
Chang,R;Barile,PA;Maslen,PE
