Adsorption energies of halogens on the (111) surface of different fcc... | Download Scientific Diagram
Unlocking the electronic genome of halogenobenzenes
Investigation of superhalogen behaviour of RuFn (n = 1–7) clusters: density functional theory (DFT) study
P-ring single-site substitution effects on the HOMO/LUMO energies of... | Download Scientific Diagram
Halogen atom effect on the photophysical properties of substituted aza-BODIPY derivatives - Physical Chemistry Chemical Physics (RSC Publishing)
![Figure 3 | DFT/TD-DFT study on halogen doping and solvent contributions to the structural and optoelectronic properties of poly[3,6-carbazole] and poly[indolo(3,2-b)-carbazole] | SpringerLink](https://media.springernature.com/full/springer-static/image/art%3A10.1007%2Fs11224-018-1156-7/MediaObjects/11224_2018_1156_Fig3_HTML.png "Figure 3 | DFT/TD-DFT study on halogen doping and solvent contributions to the structural and optoelectronic properties of poly[3,6-carbazole] and poly[indolo(3,2-b)-carbazole] | SpringerLink")
Figure 3 | DFT/TD-DFT study on halogen doping and solvent contributions to the structural and optoelectronic properties of poly[3,6-carbazole] and poly[indolo(3,2-b)-carbazole] | SpringerLink
Application of Halogen Bonding to Organocatalysis: A Theoretical Perspective
Organocatalysis by Halogen, Chalcogen, and Pnictogen Bond Donors in Halide Abstraction Reactions: An Alternative to Hydrogen Bond-Based Catalysis. - J. Phys. Chem. A - X-MOL
HOMO-LUMO Gap versus diameter of hydrogen (solid black line), fluorine... | Download Scientific Diagram
![DFT/TD-DFT study on halogen doping and solvent contributions to the structural and optoelectronic properties of poly[3,6-carbazole] and poly[indolo(3,2-b)-carbazole] | SpringerLink](https://media.springernature.com/lw685/springer-static/image/art%3A10.1007%2Fs11224-018-1156-7/MediaObjects/11224_2018_1156_Fig10_HTML.png "DFT/TD-DFT study on halogen doping and solvent contributions to the structural and optoelectronic properties of poly[3,6-carbazole] and poly[indolo(3,2-b)-carbazole] | SpringerLink")
DFT/TD-DFT study on halogen doping and solvent contributions to the structural and optoelectronic properties of poly[3,6-carbazole] and poly[indolo(3,2-b)-carbazole] | SpringerLink
Cyclotetrahalo-p-phenylenes: simulations of halogen substituted cycloparaphenylenes and their interaction with C60 - Physical Chemistry Chemical Physics (RSC Publishing)
π covalency in the halogen bond | Nature Communications
Dependence of HOMO–LUMO gap (Eg) on the number n (left) and that of the... | Download Scientific Diagram
The halogen bond: Nature and applications in: Physical Sciences Reviews Volume 2 Issue 11 (2017)
HOMO-LUMO Gap versus diameter of hydrogen (solid black line), fluorine... | Download Scientific Diagram
Molecular orbital energy diagram, HOMO-LUMO energy gaps and β tot (×... | Download Scientific Diagram
Molecular orbital energy diagram, transition energy (E), and HOMO-LUMO... | Download Scientific Diagram
Effect of molecular and electronic structure on the light harvesting properties of dye sensitizers
Correlation between HOMO-LUMO gap (ΔE H-L ) of the D-π-A molecule and... | Download Scientific Diagram
Chemical structures and B3LYP/6-311G(d,p)-calculated HOMO/LUMO levels... | Download Scientific Diagram
Unlocking the electronic genome of halogenobenzenes
The Chemistry of the Halogens - 2
