Authors: Soldevilla, Inés | García-Camacho, Aimara | Nasibullin, Rinat T. | Olmos, M. Elena | Monge, Miguel | Sundholm, Dage | Valiev, Rashid R. | López-de-Luzuriaga, José M. | Rodríguez-Castillo, María

Source: Journal of materials chemistry. 2022. Vol. 10, № 12. P. 4894-4904

Type: статьи в журналах

Date: 2022

Description: New perhalophenyl three-coordinated gold(i) complexes using the chelate ligand 1,2-bis(diphenyl-phosphino)benzene (dppBz) and [AuR(tht)] (R = C6F5 (1), o-C6BrF4 (2), p-C6BrF4 (3), o-C6F4I (4), p-C6F4I ... More

Authors: Berger, Raphael J. F. | Dimitrova, Maria | Nasibullin, Rinat T. | Valiev, Rashid R. | Sundholm, Dage

Source: Physical chemistry chemical physics. 2022. Vol. 24, № 2. P. 624-628

Type: статьи в журналах

Date: 2022

Authors: Valiev, Rashid R. | Kurten, Theo | Valiulina, Lenara I. | Ketkov, Sergey Yu. | Cherepanov, Victor N. | Dimitrova, Maria | Sundholm, Dage

Source: Physical chemistry chemical physics. 2022. Vol. 24, № 3. P. 1666-1674

Type: статьи в журналах

Date: 2022

Authors: Baryshnikov, Gleb V. | Valiev, Rashid R. | Valiulina, Lenara I. | Kurtsevich, Alexandr E. | Kurtén, Theo | Sundholm, Dage | Pittelkow, Michael | Zhang, Jinglai | Ågren, Hans

Source: The Journal of Physical Chemistry A. 2022. Vol. 126, № 16. P. 2445-2452

Type: статьи в журналах

Date: 2022

Description: Cyclo[n]carbons (n = 5, 7, 9,..., 29) composed from an odd number of carbon atoms are studied computationally at density functional theory (DFT) and ab initio complete active space self-consistent fie ... More