Electronically excited state geometries and vibrational frequencies calculated using the algebraic diagrammatic construction scheme for the polarization propagator

2019 ◽  
Vol 726 ◽  
pp. 62-68
Author(s):  
Magnus W.D. Hanson-Heine ◽  
Michael W. George ◽  
Nicholas A. Besley
2021 ◽  
pp. 111256
Author(s):  
Kun Gong ◽  
Jieqiong Yang ◽  
Thomas T. Testoff ◽  
Wei Li ◽  
Tianyang Wang ◽  
...  

2009 ◽  
Vol 131 (2) ◽  
pp. 502-508 ◽  
Author(s):  
Morten Christensen ◽  
Kristoffer Haldrup ◽  
Klaus Bechgaard ◽  
Robert Feidenhans’l ◽  
Qingyu Kong ◽  
...  

2021 ◽  
Vol 129 (11) ◽  
pp. 1387
Author(s):  
Р.И. Байчурин ◽  
И.Т. Дуланова ◽  
Ал.М. Пузык ◽  
М.В. Пузык

A procedure of synthesis of Pd (II) complexes with 2-phenylquinoline-4-carboxylic acid methyl ester: [PdMpqc(μ-Аc)]2 and [PdEnMpqc] BF4, where Mpqc is methyl 2-phenyl-4-quinolinecarboxylate ion, Ac - acetate ion, En - ethylenediamine, was developed. The composition and structure of the complexes obtained were established on the basis of IR and polynuclear NMR spectroscopy data, optical and physical properties were described on the basis of UV and fluorescence spectroscopy. The phosphorescence of Pd (II) complexes in the visible region was assigned to the radiative transition from the spin-forbidden intraligand electronically excited state 3(π-π) that is localized on the aromatic Mpqc system.


Author(s):  
Enrique Cadenas ◽  
Cecilia Giulivi ◽  
Fulvio Ursini ◽  
Alberto Boveris

1967 ◽  
Vol 89 (25) ◽  
pp. 6589-6595 ◽  
Author(s):  
Howard E. Zimmerman ◽  
Roger W. Binkley ◽  
John J. McCullough ◽  
Gary A. Zimmerman

Sign in / Sign up

Export Citation Format

Share Document