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Updated: Feb 24, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

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高速量子力学電子スペクトル計算による生物分子構造情報

Jakob Seibert1, Christoph Bannwarth1, Stefan Grimme1

  • 1Mulliken Center for Theoretical Chemistry, University of Bonn , D-53115 Bonn, Germany.

Journal of the American Chemical Society
|August 12, 2017
PubMed
まとめ

この研究は,タンパク質やDNAのような複雑な構造の分析を可能にする バイオ分子スペクトルを計算する量子力学的方法を紹介しています. このアプローチは 詳細な分子洞察のための ダイナミックと量子効果を 効率的に含んでいます

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Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy14:55

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

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Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR14:44

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

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Molecular Spectroscopy: Absorption and Emission01:14

Molecular Spectroscopy: Absorption and Emission

Molecules possess discrete energy levels called quantum states. Unlike atoms, which have simpler energy levels, molecules possess additional rotational and vibrational energy levels.  Each energy level is separated by an energy gap, with the gaps between adjacent electronic, vibrational, and rotational levels varying significantly. The three types of energy levels in a diatomic molecule are shown in Figure 1.
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UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

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Many proteins can be classified into two distinct subtypes - globular or fibrous. These two types differ in their shapes and solubilities.
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