authors

• Ahmed, Mukhtar
• Manish Kumar, MD
• Malhotra, Sumit Sahil
• Alsubaie, Abdullah Saad
• Gupta, Manoj Kumar
• Ansari, Azaj

publication date

• May 17, 2025

published in

• Journal of molecular graphics & modelling  Journal

has subject area

• Coordination Complexes
• Density Functional Theory
• Electrons
• Heterocyclic Compounds
• Ligands
• Manganese
• Methane
• Models, Molecular
• Molecular Structure
• Quantum Theory
• Static Electricity

Keywords

• DFT/TDDFT
• Electronic structures
• MEP map
• Manganese complexes
• N-Heterocyclic carbenes
• NBO
• QTAIM
• Tetraphenylporphyrin

Digital Object Identifier (DOI)

• https://doi.org/10.1016/j.jmgm.2025.109083

PubMed ID

• 40403458

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