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JCC
2008

A study on orientation and absorption spectrum of interfacial molecules by using continuum model

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A study on orientation and absorption spectrum of interfacial molecules by using continuum model
Abstract: In this work, a numerical procedure based on the continuum model is developed and applied to the solvation energy for ground state and the spectral shift against the position and the orientation of the interfacial molecule. The interface is described as a sharp boundary separating two bulk media. The polarizable continuum model (PCM) allows us to account for both electrostatic and nonelectrostatic solute
Jian-Yi Ma, Jing-Bo Wang, Xiang-Yuan Li, Yao Huang
Added 27 Dec 2010
Updated 27 Dec 2010
Type Journal
Year 2008
Where JCC
Authors Jian-Yi Ma, Jing-Bo Wang, Xiang-Yuan Li, Yao Huang, Quan Zhu, Ke-Xiang Fu
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