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5. Scanning chemical compound space using the linear response function

Scanning chemical compound space using the linear response function

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：sdnuwjz

【摘 要】

：

Within the context of reactvity descriptors known form Conceptual Density Functional Theory,the linear response function,X(r,r),[1]the study of the "chemical"ap

【作 者】

：

S.Fias A.Von Lilienfeld F.De Proft P.Geerlings 

【机 构】

：

DepartmentofGeneralChemistry,FreeUniversityBrussels(VUB),BelgiumDepartmentofInorganicChemistry,Unive

【出 处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年6期

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论文部分内容阅读

Within the context of reactvity descriptors known form Conceptual Density Functional Theory,the linear response function,X(r,r),[1]the study of the "chemical"applications of this function remained relativey unexplored.

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