Perusal on the role of DMF solvent and hydrogen bonding in the formation of 1D polymeric chains in mixed ligand Ni(II) complex as an anticancer agent: a computational approach.

Nagaraju, Maithra; Karthik, C S; Hema, M K; Chethan, B S; Ramalingam, R Jothi; Karnan, Muthusamy; Lokanath, N K

Nagaraju, Maithra; Karthik, C S; Hema, M K; Chethan, B S; Ramalingam, R Jothi; Karnan, Muthusamy; Lokanath, N K.

Afiliación

Nagaraju M; Department of Studies in Physics, University of Mysore, Manasagangotri, Mysuru, Karnataka, India.
Karthik CS; Department of Chemistry, SJCE, JSS Science and Technology University, Mysuru, Karnataka, India.
Hema MK; Department of Studies in Physics, University of Mysore, Manasagangotri, Mysuru, Karnataka, India.
Chethan BS; Department of Studies in Physics, University of Mysore, Manasagangotri, Mysuru, Karnataka, India.
Ramalingam RJ; Department of Chemistry, College of Science, King Saud University, Riyadh, Kingdom of Saudi Arabia.
Karnan M; Grassland and Forage division, National Institute of Animal Science, Rural Development Administration, Cheonan-si, South Korea.
Lokanath NK; Department of Studies in Physics, University of Mysore, Manasagangotri, Mysuru, Karnataka, India.

J Biomol Struct Dyn ; : 1-19, 2023 Dec 14.

Article en En | MEDLINE | ID: mdl-38095358

Palabras clave

DFT; IGM; MD simulation; NBO; NCI; Ni(II) complex; QTAIM; RDG; crystallography

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: India Pais de publicación: Reino Unido

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