.

Simran Sharma1, Subodh S Khire2, Nityananda Sahu1

  • 1Department of Chemistry, Indian Institute of Technology Jammu, Jammu, India.

PubMed
概括

这项研究引入了一种更快的计算方法,用于模拟大型奇拉分子的拉曼光学活动 (ROA) 光谱. 基于片段的分子定制方法 (MTA) 显著降低了计算成本,同时保持了准确性.

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