Result with impact on practice detail

Quantum Mechanical Study of Lanthanide Complex Cp*2LnCl2(OEt2)2, where Ln = Sm, Nd

KROUTIL, O.; HERMANOVÁ, S.; RICHTERA, L.; ŽÍDEK, J.; JANČÁŘ, J.

Original Title

Quantum Mechanical Study of Lanthanide Complex Cp*2LnCl2(OEt2)2, where Ln = Sm, Nd

English Title

Quantum Mechanical Study of Lanthanide Complex Cp*2LnCl2(OEt2)2, where Ln = Sm, Nd

Type

Audiovisual work

Original Abstract

Paper deals Ab-initio caclulation using the DFT method on lanthanocene. Further the infrared and Raman spectra were used for simulations.

English abstract

Paper deals Ab-initio caclulation using the DFT method on lanthanocene. Further the infrared and Raman spectra were used for simulations.

Keywords

Ab-initio, DFT, lanthanocene, IR-spectrum, Raman-spectrum, simulations

Key words in English

Ab-initio, DFT, lanthanocene, IR-spectrum, Raman-spectrum, simulations

Authors

KROUTIL, O.; HERMANOVÁ, S.; RICHTERA, L.; ŽÍDEK, J.; JANČÁŘ, J.

Released

16.09.2008

Location

Brno, CZ

Pages from

1

Pages to

1

Pages count

1

BibTex

@misc{BUT63780,
  author="Ondřej {Kroutil} and Soňa {Hermanová} and Lukáš {Richtera} and Jan {Žídek} and Josef {Jančář}",
  title="Quantum Mechanical Study of Lanthanide Complex Cp*2LnCl2(OEt2)2, where Ln = Sm, Nd",
  year="2008",
  pages="1--1",
  address="Brno, CZ",
  note="Audiovisual work"
}