Decoding Chemical Bonds: Assessment of the Basis Set Effect on Overlap Electron Density Descriptors and Topological Properties in Comparison to QTAIM-Reference-Cited by-同舟云学术

Decoding Chemical Bonds: Assessment of the Basis Set Effect on Overlap Electron Density Descriptors and Topological Properties in Comparison to QTAIM

Author:

Santos Carlos V.¹,Monteiro Shirlene A.²,Soares Amanda S. C.³,Souto Isabeli C. A.³,Moura Renaldo T.³⁴^ORCID

Affiliation:

1. Department of Chemistry, Federal University of Paraiba, Joao Pessoa, Paraiba 58051-970, Brazil

2. Department of Chemistry, State University of Paraiba, Campina Grande, Paraiba 58051-970, Brazil

3. Department of Chemistry and Physics, Center of Agrarian Sciences, Federal University of Paraiba, Areia, Paraiba 58397-000, Brazil

4. Computational and Theoretical Chemistry Group (CATCO), Department of Chemistry, Southern Methodist University, Dallas, Texas 75275, United States

Funder

Universidade Federal da ParaÃba

MinistÃ©rio da CiÃªncia, Tecnologia e InovaÃ§Ã£o

CoordenaÃ§Ã£o de AperfeiÃ§oamento de Pessoal de NÃvel Superior

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

Reference103 articles.

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