:

Marco Trinari1, Chiara Sepali1, Tommaso Giovannini2

  • 1Scuola Normale Superiore, Piazza Dei Cavalieri 7, Pisa I-56126, Italy.

概括

这项研究引入了一种多尺度的计算协议,以模拟水中的zwitterionic l-tryptophan的光谱特性. 该方法准确地预测电子,磁性和振动光谱,验证了其对分子模拟的有效性.

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