CHEMISTY-GALLERY

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Charge density of a water molecule hit by a light-puls with a field stregth 5 a.u. and a wavelength of 13 Å. TDHF calculation using a cc-pVQz-DK basis set and a time-step of 0.01 a.u. Calculation was performed with uquantchem

Charge density change computed in a Glycine amino acid  hit by a X-ray-puls with a field strength of 5 a.u. and a wavelength of 6 Å. Red color corresponds to decreased charge and blue increased. TDHF calculation using 6-311G**++ basis set and a time-step of 0.005 a.u. Calculation was  performed with uquantchem.

Enter TextClick here to se the charge density of an Oxygen atom evolve in time as it is hit by a laser puls with a field strength of 5 a.u. and a wavelength of 190 nm. TDHF calculation performed with uquantchem and a 6-311G**++ basis-set. The time step was 0.1 a.u

Click here to se the iso surfaceof the  charge density (dens =0.01) of an Carbon atom evolve in time as it is hit by a laser puls with a field strength of 5 a.u. and a wavelength of 2.4 nm. TDHF calculation performed with uquantchem and a 6-311G**++ basis-set. The time step was 0.01 a.u

Click here to se the charge density change in a Glycine amino acid  when it is hit by a light puls of wave length 600 nm and field strength 0.05 a.u. TDHF calculation performed with uquantchem and a 6-311G**++ basis-set. The time step was 0.1 a.u. The iso-dens value = 0.00001. Red color signifies decreas of charge and blue the oposite

Click here to se the charge density change in a carbon dioxide molecule when it is hit by a light puls of wave length 7370 nm and field strength 0.05 a.u. The light puls is polarized along the molecular symmtery axis. B3LYP  calculation performed with uquantchem and a 6-311G**++ basis-set. The time step was 0.1 a.u. The iso-dens value = 0.00001. Red color signifies decreas of charge and blue the oposite