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首页> 外文期刊>International Journal of Quantum Chemistry >Molecular Dynamics of Strained Retinal in Various Electronic States
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Molecular Dynamics of Strained Retinal in Various Electronic States

机译:处于各种电子状态的视网膜应变的分子动力学

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摘要

Internal rotation barriers in retinal and its protonated analog in the ground and first excited states were investigated.The Hartree-Fock method followed by Moeller-Plesset perturbation theory and molecular dynamic methods were applied.
机译:研究了视网膜内部旋转障碍及其在基态和第一激发态下的质子化类似物。应用了Hartree-Fock方法,Moeller-Plesset微扰理论和分子动力学方法。

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