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5. Theoretical study of doubly resonant sum-frequency vibrational spectroscopy for 1,1'-bi-2-napht

Theoretical study of doubly resonant sum-frequency vibrational spectroscopy for 1,1'-bi-2-napht

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

【摘 要】

：

By combining molecular dynamics(MD) simulation and density functional theory(DFT) calculations,we investigate the surface doubly resonant sum-frequency vibrational spectroscopy(SFVS) for a monolayer o

【作 者】

：

Ren-hui Zheng Wen-mei Wei Yuan-yuan Jing Hao Liu Qiang Shi 

【机 构】

：

Beijing National Laboratory for Molecular Sciences,State Key Laboratory for Structural Chemistry of

【出 处】

：

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

【发表日期】

：

2015年5期

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论文部分内容阅读

By combining molecular dynamics(MD) simulation and density functional theory(DFT) calculations,we investigate the surface doubly resonant sum-frequency vibrational spectroscopy(SFVS) for a monolayer of R-1,1-bi-2-naphthol(R-BN) molecules on water surface.

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