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Typický Napodobovat hadr homo lumo gap in halogen Předtucha Rozruch Hltan

The Chemistry of the Halogens - 2
The Chemistry of the Halogens - 2

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

The halogen bond: Nature and applications in: Physical Sciences Reviews  Volume 2 Issue 11 (2017)
The halogen bond: Nature and applications in: Physical Sciences Reviews Volume 2 Issue 11 (2017)

P-ring single-site substitution effects on the HOMO/LUMO energies of... |  Download Scientific Diagram
P-ring single-site substitution effects on the HOMO/LUMO energies of... | Download Scientific Diagram

Cyclotetrahalo-p-phenylenes: simulations of halogen substituted  cycloparaphenylenes and their interaction with C60 - Physical Chemistry  Chemical Physics (RSC Publishing)
Cyclotetrahalo-p-phenylenes: simulations of halogen substituted cycloparaphenylenes and their interaction with C60 - Physical Chemistry Chemical Physics (RSC Publishing)

Adsorption energies of halogens on the (111) surface of different fcc... |  Download Scientific Diagram
Adsorption energies of halogens on the (111) surface of different fcc... | Download Scientific Diagram

Molecular orbital energy diagram, HOMO-LUMO energy gaps and β tot (×... |  Download Scientific Diagram
Molecular orbital energy diagram, HOMO-LUMO energy gaps and β tot (×... | Download Scientific Diagram

The Chemistry of the Halogens - 2
The Chemistry of the Halogens - 2

HOMO-LUMO Gap versus diameter of hydrogen (solid black line), fluorine... |  Download Scientific Diagram
HOMO-LUMO Gap versus diameter of hydrogen (solid black line), fluorine... | Download Scientific Diagram

a) Electrostatic (σ-hole) and (b) molecular orbital models of halogen... |  Download Scientific Diagram
a) Electrostatic (σ-hole) and (b) molecular orbital models of halogen... | Download Scientific Diagram

π covalency in the halogen bond | Nature Communications
π covalency in the halogen bond | Nature Communications

The Chemistry of the Halogens - 2
The Chemistry of the Halogens - 2

The Chemistry of the Halogens - 2
The Chemistry of the Halogens - 2

Why Halogens are Coloured ? - The Chemistry Guru
Why Halogens are Coloured ? - The Chemistry Guru

Chemical structures and B3LYP/6-311G(d,p)-calculated HOMO/LUMO levels... |  Download Scientific Diagram
Chemical structures and B3LYP/6-311G(d,p)-calculated HOMO/LUMO levels... | Download Scientific Diagram

Investigation of superhalogen behaviour of RuFn (n = 1–7) clusters: density  functional theory (DFT) study
Investigation of superhalogen behaviour of RuFn (n = 1–7) clusters: density functional theory (DFT) study

Predictive Simulations for Tuning Electronic and Optical Properties of  SubPc Derivatives
Predictive Simulations for Tuning Electronic and Optical Properties of SubPc Derivatives

The halogen bond: Nature and applications in: Physical Sciences Reviews  Volume 2 Issue 11 (2017)
The halogen bond: Nature and applications in: Physical Sciences Reviews Volume 2 Issue 11 (2017)

π covalency in the halogen bond | Nature Communications
π covalency in the halogen bond | Nature Communications

Unlocking the electronic genome of halogenobenzenes
Unlocking the electronic genome of halogenobenzenes

The Chemistry of the Halogens - 2
The Chemistry of the Halogens - 2

Unlocking the electronic genome of halogenobenzenes
Unlocking the electronic genome of halogenobenzenes

Application of Halogen Bonding to Organocatalysis: A Theoretical Perspective
Application of Halogen Bonding to Organocatalysis: A Theoretical Perspective

The Chemistry of the Halogens - 2
The Chemistry of the Halogens - 2

Halogen atom effect on the photophysical properties of substituted  aza-BODIPY derivatives - Physical Chemistry Chemical Physics (RSC  Publishing)
Halogen atom effect on the photophysical properties of substituted aza-BODIPY derivatives - Physical Chemistry Chemical Physics (RSC Publishing)

Dependence of HOMO–LUMO gap (Eg) on the number n (left) and that of the...  | Download Scientific Diagram
Dependence of HOMO–LUMO gap (Eg) on the number n (left) and that of the... | Download Scientific Diagram