Dataset: Nuclear spin-induced optical rotation of functional groups in hydrocarbons

Description

The dataset contains results of quantum-chemical calculations of nuclear spin-induced optical rotation for a set of hydrocarbon molecules. Original publication: https://doi.org/10.1039/D0CP02856H

Year of publication

2021

Type of data

Authors

University of Oulu

Petr Stepanek - Creator, Publisher

Project

Other information

Fields of science

Physical sciences; Chemical sciences

Language

English

Open access

Open

License

Creative Commons Attribution 4.0 International (CC BY 4.0)

Keywords

density functional theory, molecular properties, nuclear magneto-optics, quantum-chemical calculations

Subject headings

Temporal coverage

undefined