Documented dataset for https://doi.org/10.1021/acs.iecr.5c02744

This dataset contains three files: alcopop.zip: This is a zip archive containing the actual calculations represented in the article "CO2 Utilization through Reaction with Alcohols: A Quantum Chemical Study". alcopop-onto.ttl: This is a rdf-representation of the alcopop application ontology serialized in turtle. alcopop-kb.ttl: This is an rdf-representation of the knowledgebase witht the documented data serialized in turtle. The knowledgebase can be loaded into a triplestore and investigated, i.e. with tripper.本数据集包含三个文件： alcopop.zip：该压缩归档内含论文《通过与醇类反应实现二氧化碳利用：一项量子化学研究》中所呈现的实际计算数据。 alcopop-onto.ttl：该文件为采用Turtle语法序列化的alcopop应用本体的资源描述框架（Resource Description Framework，RDF）表示形式。 alcopop-kb.ttl：该文件为采用Turtle语法序列化的包含已记录数据的知识库的RDF表示形式。该知识库可加载至三元组存储（triplestore）中并开展查询与分析，例如借助tripper工具。