Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

Gasteiger, Johann; Marsili, Mario

doi:10.1016/0040-4020(80)80168-2

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Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

Author(s): Johann Gasteiger , Mario Marsili

Publication date Created: January 1980

Publication date (Print): January 1980

Journal: Tetrahedron

Publisher: Elsevier BV

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Title: Tetrahedron

Abbreviated Title: Tetrahedron

Publisher: Elsevier BV

ISSN (Print): 00404020

Publication date Created: January 1980

Publication date (Print): January 1980

Volume: 36

Issue: 22

Pages: 3219-3228

Article

DOI: 10.1016/0040-4020(80)80168-2

SO-VID: f77c005e-8fb6-409b-9e51-58f8591e5af6

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Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

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