![DFT Studies on Molecular Structure, Absorption properties, NBO Analysis, and Hirshfeld Surface Analysis of Iron(III) DFT Studies on Molecular Structure, Absorption properties, NBO Analysis, and Hirshfeld Surface Analysis of Iron(III)](https://www.physchemres.org/data/pcr/coversheet/361628971520.jpg)
DFT Studies on Molecular Structure, Absorption properties, NBO Analysis, and Hirshfeld Surface Analysis of Iron(III)
![The Natural Bond Orbital (NBO) calculation for the C1-O2 bonding based... | Download Scientific Diagram The Natural Bond Orbital (NBO) calculation for the C1-O2 bonding based... | Download Scientific Diagram](https://www.researchgate.net/publication/339109035/figure/tbl3/AS:856300481167366@1581169352290/The-Natural-Bond-Orbital-NBO-calculation-for-the-C1-O2-bonding-based-on-the-linear.png)
The Natural Bond Orbital (NBO) calculation for the C1-O2 bonding based... | Download Scientific Diagram
a) Natural bond orbital (NBO) analyses of π⋯π stacking in cocrystal 1,... | Download Scientific Diagram
![The charge distribution calculated via NBO method Positive and negative... | Download Scientific Diagram The charge distribution calculated via NBO method Positive and negative... | Download Scientific Diagram](https://www.researchgate.net/publication/345997709/figure/fig4/AS:959181163081733@1605698018711/The-charge-distribution-calculated-via-NBO-method-Positive-and-negative-charges-are.png)
The charge distribution calculated via NBO method Positive and negative... | Download Scientific Diagram
![Density functional theory (DFT) calculations with natural bond orbital... | Download Scientific Diagram Density functional theory (DFT) calculations with natural bond orbital... | Download Scientific Diagram](https://www.researchgate.net/publication/312366335/figure/fig5/AS:614455662628865@1523509054809/Density-functional-theory-DFT-calculations-with-natural-bond-orbital-NBO-analysis-of.png)
Density functional theory (DFT) calculations with natural bond orbital... | Download Scientific Diagram
![An X-ray and Natural Bond Orbital (NBO) structural study of α-tocopheryl and 2,2,5,7,8-pentamethylchroman-6-yl succinates - ScienceDirect An X-ray and Natural Bond Orbital (NBO) structural study of α-tocopheryl and 2,2,5,7,8-pentamethylchroman-6-yl succinates - ScienceDirect](https://ars.els-cdn.com/content/image/1-s2.0-S1319610318301029-ga1.jpg)
An X-ray and Natural Bond Orbital (NBO) structural study of α-tocopheryl and 2,2,5,7,8-pentamethylchroman-6-yl succinates - ScienceDirect
![NBO analyses for the charge distribution of metal ions in complex 1. a... | Download Scientific Diagram NBO analyses for the charge distribution of metal ions in complex 1. a... | Download Scientific Diagram](https://www.researchgate.net/publication/336813956/figure/fig5/AS:958973003964434@1605648389535/NBO-analyses-for-the-charge-distribution-of-metal-ions-in-complex-1-a-NBO-calculation-in_Q640.jpg)