In recent years, the margin of interaction between computational chemistry and most branches of experimental chemistry has increased at a fast pace. The experimental characterization of new systems relies on computational methods for the rationalization of structural, energetic, electronic and dynamical features. In particular, novel computational approaches allow accurate estimates of molecular parameters from spectroscopic optical observables, giving rise to synergic interactions between experimentalists and theoretically-oriented chemists. Our main objective in this tutorial review is to delineate the degree of advancement of possible integrated computational approaches to the interpretation of optical spectroscopies, with an accent on large molecules in solvated environments, based on the combination of advanced quantum mechanical treatments and stochastic modelling of relaxation processes.

中文翻译：

---

溶液中大分子的UV / vis光谱的集成计算策略。

近年来，计算化学与大多数实验化学分支之间相互作用的余地迅速增加。新系统的实验表征依赖于用于合理化结构，能量，电子和动力学特征的计算方法。特别地，新颖的计算方法允许从光谱光学观察物精确估计分子参数，从而引起实验家和理论上化学家之间的协同相互作用。在本教程复习中，我们的主要目标是描述可能的综合计算方法在解释光学光谱学方面的进展程度，重点是溶剂化环境中的大分子，