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5. A QM excitonic scheme for simulating electronic circular dichroism spectra of multichromophoric syst

A QM excitonic scheme for simulating electronic circular dichroism spectra of multichromophoric syst

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：lzzwj

【摘 要】

：

In this contribution,we present the implementation and some applications of a gaugeindependent QM based computational protocol to simulate electronic circular d

【作 者】

：

C.A.Guido S.Jurinovich D.Loco G.Pescitelli B.Mennucci 

【机 构】

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DepartmentofChemistry,UniversityofPisa,Pisa,Italy

【出 处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年6期

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论文部分内容阅读

In this contribution,we present the implementation and some applications of a gaugeindependent QM based computational protocol to simulate electronic circular dichroism(ECD) spectra in an excitonic scheme [1].

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