A reference-free stockholder partitioning method based on the force on electrons-Reference-Cited by-同舟云学术

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A reference-free stockholder partitioning method based on the force on electrons

Published:2017-11-19 Issue:17 Volume:39 Page:1044-1050
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Fias Stijn¹,Heidar-Zadeh Farnaz¹²³,Anderson James S. M.⁴^ORCID,Ayers Paul W.¹^ORCID,Parr Robert G.⁵

Affiliation:

1. Department of Chemistry & Chemical Biology; McMaster University; Hamilton Ontario Canada L8S 4M1

2. Center for Molecular Modeling; Ghent University, Technologiepark 903; 9052 Zwijnaarde Belgium

3. Department of Inorganic and Physical Chemistry; Ghent University, Krijgslaan 281 (S3); 9000 Gent Belgium

4. iTHES Research Group, RIKEN, 2-1, Hirosawa; Wako-shi Saitama 351-0198 Japan

5. Department of Chemistry; University of North Carolina; Chapel Hill NC USA 27599

Funder

Natural Sciences and Engineering Research Council of Canada

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference70 articles.

1. What Is an Atom in a Molecule?

2. Information Theory Thermodynamics of Molecules and Their Hirshfeld Fragments

3. Information theory, atoms in molecules, and molecular similarity

4. Bonded-atom fragments for describing molecular charge densities

5. Atoms in molecules, an axiomatic approach. I. Maximum transferability

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