DFT Simulation of Structural and Optical Properties of 9-Aminoacridine Half-Sandwich Ru(II), Rh(III), and Ir(III) Antitumoral Complexes and Their Interaction with DNA-Reference-Cited by-同舟云学术

DFT Simulation of Structural and Optical Properties of 9-Aminoacridine Half-Sandwich Ru(II), Rh(III), and Ir(III) Antitumoral Complexes and Their Interaction with DNA

Published:2017-07-06 Issue:8 Volume:13 Page:3898-3910
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Cerón-Carrasco José Pedro¹^ORCID,Ruiz José^ORCID,Vicente Consuelo,de Haro Concepción,Bautista Delia,Zúñiga José,Requena Alberto

Affiliation:

1. Bioinformatics and High Performance Computing Research Group (BIO-HPC), Universidad Católica San Antonio de Murcia (UCAM), Campus de los Jerónimos, 30107 Murcia, Spain

Funder

Fundaci?n S?neca

Ministerio de Econom?a y Competitividad

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00139

Reference90 articles.

1. A computational study on DNA bases interactions with dinuclear tetraacetato-diaqua-dirhodium(II,II) complex

2. Comparison of hydration reactions for “piano-stool” RAPTA-B and [Ru(η6− arene)(en)Cl]+ complexes: Density functional theory computational study