<scp>TopIso3D</scp> <i>Viewer</i>: Enhancing Topological Analysis through 3D Isosurfaces-Reference-Cited by-同舟云学术

TopIso3D Viewer: Enhancing Topological Analysis through 3D Isosurfaces

Published:2023-03-23 Issue:7 Volume:63 Page:1999-2013
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Silva Jeronimo F.¹,Fabris Guilherme S. L.²^ORCID,Sambrano Julio R.³^ORCID,Albuquerque Anderson R.⁴^ORCID,Maia Ary S.¹^ORCID

Affiliation:

1. NPE-LACOM, Federal University of Paraíba, João Pessoa, Paraíba 58051-900, Brazil

2. Postgraduate Program in Science and Engineering of Materials, Federal University of Rio Grande do Norte, Natal, Rio Grande do Norte 59078-970, Brazil

3. Modeling and Molecular Simulation Group, São Paulo State University, Bauru, Paraíba 17033-360, Brazil

4. Institute of Chemistry, Federal University of Rio Grande do Norte, Natal, Rio Grande do Norte 59078-970, Brazil

Funder

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo

Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00302

Reference42 articles.

1. The characterization of atomic interactions

2. Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities

3. Experimental electron density overlapping in hydrogen bonds: topology vs. energetics

4. Experimental Electron Density in a Transition Metal Dimer: Metal−Metal and Metal−Ligand Bonds

5. From weak to strong interactions: A comprehensive analysis of the topological and energetic properties of the electron density distribution involving X–H⋯F–Y systems

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