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TD-DFT simulation (keyword)
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journal article EST
/
journal article ENG
Supramolecular Chirogenesis in bis-porphyrin: crystallographic structure and CD spectra for a complex with a chiral guanidine derivative
Osadchuk, Irina
;
Konrad, Nele
;
Truong, Khai-Nghi
;
Rissanen, Kari
;
Clot, Eric
;
Aav, Riina
;
Kananovich, Dzmitry
;
Borovkov, Victor
Symmetry
2021
/
14 p. : ill
https://doi.org/10.3390/sym13020275
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journal article EST
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journal article ENG
2
book article
Supramolecular Chirogenesis in bis-porphyrin: crystallographic structure and CD spectra for a complex with a chiral guanidine derivative
Osadchuk, Irina
;
Konrad, Nele
;
Truong, Khai-Nghi
;
Aav, Riina
;
Kananovich, Dzmitry
;
Borovkov, Victor
Chiral Auxiliaries and Chirogenesis II
2021
/
p. 83-96
https://doi.org/10.3390/sym13020275
https://doi.org/10.3390/books978-3-0365-1155-9
book article
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keyword
6
1.
TD-DFT simulation
2.
TD-DFT
3.
time-dependent density functional theory (TD-DFT)
4.
density functional theory (DFT)
5.
DFT
6.
DFT calculation
author
1
1.
Krasheninnikova, T.D.
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