Ab Initio Modeling of the Electronic Absorption Spectrum of Previtamin D in Solution
<p> To study the solvent effects of water on the previtamin D absorption spectrum, we use the quantum mechanics (QM)/molecular mechanics (MM) method combined with replica-exchange molecular dynamics (REMD). The QM method is applied for the previtamin D molecule and the MM method is used for th...
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| Language: | EN |
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California State University, Long Beach
2017
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| Online Access: | http://pqdtopen.proquest.com/#viewpdf?dispub=10265071 |