Towards the Computational Design of Compounds from First Principles

Mathematical Physics Studies

Volumn Part F1112, Issue , 2014, Pages 169-189

  von Lilienfeld, O Anatole ^a,b  

^a UNIVERSITY OF BASEL   (Switzerland)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

Density Functional Theory; Density Functional Theory Calculation; Molecular Electrostatic Potential; Nuclear Charge; Quantitative Structure Activity Relationship

Indexed keywords

EID: 85166641089     PISSN: 09213767     EISSN: 23523905     Source Type: Book Series    
DOI: 10.1007/978-3-319-06379-9_9     Document Type: Chapter

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