分析手性环氧乙烷分子，为下一代望远镜做准备：回顾、新分析和手性分子数据库

IF 1.9 4区物理与天体物理 Q2 ASTRONOMY & ASTROPHYSICS

Astronomy and Computing Pub Date : 2024-01-01 DOI:10.1016/j.ascom.2024.100791

C.D. Tremblay , R.D. Amos , R. Kobayashi

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引用次数: 0

摘要

人类生物学偏好左手手性分子，而一个悬而未决的问题是，这种偏好是否源自天体物理学。我们旨在评估天体物理和天体化学数据库中有关手性分子的已知信息，评估化学建模的准确性，并使用高级 CCSD(T) 计算来描述环氧丙烷和其他环氧乙烷变体的特征。通过将这些计算值与过去的实验室实验进行比较，我们发现两者的相似度高达 99.9%。我们还建立了一个专门用于手性分子和手性分子变体的新数据库，以帮助回答这一问题。

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Analysis of chiral oxirane molecules in preparation for next generation telescopes: A review, new analysis, & a chiral molecule database

Human biology has a preference for left-handed chiral molecules and an outstanding question is if this is imposed through astrophysical origins. We aim to evaluate the known information about chiral molecules within astrophysical and astrochemical databases, evaluate chemical modeling accuracy, and use high-level CCSD(T) calculations to characterize propylene oxide and other oxirane variants. By comparing these computational values with past laboratory experiments, we find a 99.9% similarity. We also have put together a new database dedicated to chiral molecules and variants of chiral molecules to assist in answering this question.

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来源期刊

Astronomy and Computing ASTRONOMY & ASTROPHYSICSCOMPUTER SCIENCE,-COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS

CiteScore

4.10

自引率

8.00%

发文量

期刊介绍： Astronomy and Computing is a peer-reviewed journal that focuses on the broad area between astronomy, computer science and information technology. The journal aims to publish the work of scientists and (software) engineers in all aspects of astronomical computing, including the collection, analysis, reduction, visualisation, preservation and dissemination of data, and the development of astronomical software and simulations. The journal covers applications for academic computer science techniques to astronomy, as well as novel applications of information technologies within astronomy.