Geometry structure optimizations and NBO-analysis of the electron density distributionfor hemi- (hp) and dicarbahemiporphyrazine (dchp) complexes with Ca(II), Ni(II) and Zn(II) were performed at PBE0/pcseg-2 level of theory. The Time Dependent DFT spectra were calculated for this molecules

Features of the electron density distribution in the complexes of hemi- and dicarbahemiporphyrazine with Ca(II), Ni(II) and Zn(II)

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P2: Quantum computing and quantum simulation

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The Institute of Physics and IOP Publishing, in partnership with the Chinese Physical Society (CPS) and the University of Science and Technology of China (USTC) are proud to have brought together the international quantum science community online for this inaugural conference.


Early career and leading researchers from universities, industry and government worldwide came together to share, learn and collaborate on the latest research and emerging areas of high interest across quantum science and technology. The broad themes covered by Quantum 2020 included:

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Quantum sensing, metrology and imaging;
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Quantum 2020

The Institute of Physics and IOP Publishing, in partnership with the Chinese Physical Society (CPS) and the University of Science and Technology of China (USTC) are proud to have brought together the international quantum science community online for this inaugural conference.

Early career and leading researchers from universities, industry and government worldwide came together to share, learn and collaborate on the latest research and emerging areas of high interest across quantum science and technology. 

Alexey Eroshin

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Presentations

Features of the electron density distribution in the complexes of hemi- and dicarbahemiporphyrazine with Ca(II), Ni(II) and Zn(II)