scholarly journals Correction: Diminishing accessibility of electrophilic nickel(ii) centres due to incorporation of a methylene spacer in the pendant side arm of a series of heterotrinuclear nickel(ii)/sodium complexes: a DFT study using a homodesmotic equation

CrystEngComm ◽  
2020 ◽  
Vol 22 (31) ◽  
pp. 5263-5263 ◽  
Author(s):  
Prasanta Kumar Bhaumik ◽  
Abhisek Banerjee ◽  
Tamal Dutta ◽  
Sudipta Chatterjee ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Dft Study ◽  
Sodium Complexes

Correction for ‘Diminishing accessibility of electrophilic nickel(ii) centres due to incorporation of a methylene spacer in the pendant side arm of a series of heterotrinuclear nickel(ii)/sodium complexes: a DFT study using a homodesmotic equation’ by Prasanta Kumar Bhaumik et al., CrystEngComm, 2020, 22, 2970–2977, DOI: 10.1039/D0CE00251H.

Diminishing accessibility of electrophilic nickel(ii) centres due to incorporation of a methylene spacer in the pendant side arm of a series of heterotrinuclear nickel(ii)/sodium complexes: a DFT study using a homodesmotic equation

CrystEngComm ◽  
2020 ◽  
Vol 22 (17) ◽  
pp. 2970-2977 ◽  
Author(s):  
Prasanata Kumar Bhaumik ◽  
Abhisek Banerjee ◽  
Tamal Dutta ◽  
Sudipta Chatterjee ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Molecular Interactions ◽  
Dft Study ◽  
Dual Effect ◽  
Sodium Complexes ◽  
Pseudo Halides

The ethoxy groups have a dual effect in hindering the attack of the pseudo-halides on the nickel(ii) centre and also in stabilizing the complex by intra-molecular interactions.

DFT study of the effect of hidrocarbonated chains on the electronic properties of some oligothiophene derivatives

2009 ◽  
Author(s):  
Manuel Fernández-Gómez ◽  
Amparo Navarro ◽  
MªPaz Fernández-Liencres ◽  
Mónica Moral ◽  
José Manuel Granadino-Roldán ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Dft Study

Formation/Fate of Reactive Metabolites from General Anesthetics and A Comparison of Toxic and Non-Toxic Analogues: A DFT Study

2013 ◽  
Vol 6 (4) ◽  
pp. 221-234 ◽  
Author(s):  
Sonam Bhatia ◽  
Vaibhav Dixit ◽  
Harish Jangra ◽  
Prasad Bharatam
Keyword(s):  
Dft Study ◽  
Reactive Metabolites ◽  
General Anesthetics
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