Component spectroscopic properties of light-harvesting complexes with DFT calculations

Photosynthesis is a fundamental process in biosciences and biotechnology that influences profoundly the research in other disciplines.In this paper,we focus on the characterization of fundamental components,present in pigment-protein complexes,in terms of their spectroscopic properties such as infrared spectra,nuclear magnetic resonance,as well as nuclear quadrupole resonance,which are of critical importance for many applications.Such components include chlorophylls and bacteriochlorophylls.Based on the density functional theory method,we calculate the main spectroscopic characteristics of these components for the Fenna-Matthews-Olson light-harvesting complex,analyze them and compare them with available experimental results.Future outlook is discussed in the context of current and potential applications of the presented results.

数学建模和计算建模在自然科学、社会科学、工程和艺术中的应用

本书阐明数学建模和计算建模在多种多样学科中的应用。本书的重点在于说明数学建模和计算建模具有跨学科的性质，各章的作者都是自然和社会科学、工程学和艺术等领域的国际级专家，为读者提供当代在发展数学建模和计算机实验的方法论方面的丰富成果。

数学建模和计算建模在自然科学、社会科学、工程和艺术中的应用

本书阐明数学建模和计算建模在各个学科中的应用。本书的重点在于说明数学建模和计算建模具有跨学科的性质，各章的作者都是自然和社会科学、工程学和艺术等领域的国际级专家，为读者提供当代在发展数学建模和计算机实验的方法论方面的丰富的成果。本书也是关于应用数学和计算数学的方法、思想和工具等方面很有价值的导引书，借助这些方面的知识来解决自然科学、社会科学、工程和技术等方面的问题。