首页>
外国专利>
Apparatus, method, and recording-medium for molecular structure construction and molecular structure design
Apparatus, method, and recording-medium for molecular structure construction and molecular structure design
展开▼
机译:用于分子结构构建和分子结构设计的装置,方法和记录介质
展开▼
页面导航
摘要
著录项
相似文献
摘要
A molecular structure construction assisting apparatus includes a storage unit configured to store a data structure pertaining to a molecular structure, the data structure including at least a molecule data structure including an atom data structure pertaining to an atom, a bond axis data structure pertaining to a bond axis, and a molecule main data structure, an element data structure pertaining to an element of the atom, a display unit configured to display the molecular structure, an operation unit configured to instruct a target atom to be arranged in the molecular structure, a molecular structure design unit configured to derive a hybrid orbital of the target atom and a localized molecular orbital pertaining to a bond formed between the target atom and another atom of the molecular structure by using the data structure.
展开▼