Search results
- 1.0428322 - ÚFCH JH 2015 RIV US eng J - Journal Article
Blanco-Rodríguez, A. M. - Kvapilová, Hana - Sýkora, Jan - Towrie, M. - Nervi, C. - Volpi, G. - Záliš, Stanislav - Vlček, Antonín
Photophysics of Singlet and Triplet Intraligand Excited States in [ReCl(CO)(3)(1-(2-pyridyl)-imidazo[1,5-alpha]pyridine)] Complexes.
Journal of the American Chemical Society. Roč. 136, č. 16 (2014), s. 5963-5973. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR GBP208/12/G016; GA MŠMT LD11086
Institutional support: RVO:61388955
Keywords : CARBONYL-BIPYRIDINE COMPLEXES * RESOLVED INFRARED-SPECTROSCOPY * CHARGE-TRANSFER STATES
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 12.113, year: 2014
Permanent Link: http://hdl.handle.net/11104/0233678 - 2.0428321 - ÚFCH JH 2015 RIV DE eng J - Journal Article
Grupp, A. - Bubrin, M. - Ehret, F. - Zeng, Q. - Hartl, F. - Kvapilová, Hana - Záliš, Stanislav - Kaim, W.
Ru-II(alpha-diimine) or Ru-III(alpha-diimine(center dot-))? Structural, Spectroscopic, and Theoretical Evidence for the Stabilization of a Prominent Metal-to-Ligand Charge-Transfer Excited-State Configuration in the Ground State.
European Journal of Inorganic Chemistry. Roč. 2014, č. 1 (2014), s. 110-119. ISSN 1434-1948. E-ISSN 1099-0682
R&D Projects: GA MŠMT LD11086
Institutional support: RVO:61388955
Keywords : N ligands * Noninnocent ligands * Oxidation states
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.942, year: 2014
Permanent Link: http://hdl.handle.net/11104/0233677 - 3.0428320 - ÚFCH JH 2015 RIV DE eng J - Journal Article
Paretzki, A. - Bubrin, M. - Fiedler, Jan - Záliš, Stanislav - Kaim, W.
Correlated coordination and redox activity of a hemilabile noninnocent ligand in nickel complexes.
Chemistry - A European Journal. Roč. 20, č. 18 (2014), s. 5414-5422. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA MŠMT LD11086
Institutional support: RVO:61388955
Keywords : coordination change * hemilabile ligands * nickel
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.731, year: 2014
Permanent Link: http://hdl.handle.net/11104/0233676 - 4.0428319 - ÚFCH JH 2015 RIV CH eng J - Journal Article
Grupp, A. - Bubrin, M. - Ehret, F. - Kvapilová, Hana - Záliš, Stanislav - Kaim, W.
Oxidation and reduction response of a-diimine complexes with tricarbonylrhenium halides and pseudohalides.
Journal of Organometallic Chemistry. Roč. 751, SI (2014), s. 678-685. ISSN 0022-328X. E-ISSN 1872-8561
R&D Projects: GA MŠMT LD11086
Institutional support: RVO:61388955
Keywords : 14-Diazabuta-13-dienes * DFT calculations * Electronic structure
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.173, year: 2014
Permanent Link: http://hdl.handle.net/11104/0233675 - 5.0399710 - ÚFCH JH 2014 RIV US eng J - Journal Article
Kvapilová, Hana - Hoskovcová, Irena - Kayanuma, M. - Daniel, CH. - Záliš, Stanislav
Electronic Excitations in Fischer-Type Cr and W Aminocarbene Complexes: A Combined ab Initio and Experimental Study.
Journal of Physical Chemistry A. Roč. 117, č. 45 (2013), s. 11456-11463. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LD11086
Institutional support: RVO:61388955
Keywords : METAL CARBENE COMPLEXES * FLASH-PHOTOLYSIS * BASIS-SETS
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.775, year: 2013
Permanent Link: http://hdl.handle.net/11104/0226947 - 6.0394905 - ÚFCH JH 2014 RIV DE eng J - Journal Article
Krafft, M. J. - Bubrin, M. - Paretzki, A. - Lissner, F. - Fiedler, Jan - Záliš, Stanislav - Kaim, W.
Identifying Intermediates of Sequential Electron and Hydrogen Loss from a Dicarbonylcobalt Hydride Complex.
Angewandte Chemie - International Edition. Roč. 52, č. 26 (2013), s. 6781-6784. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA MŠMT LD11086
Institutional support: RVO:61388955
Keywords : cobalt * Electron transfer * ferrocene
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 11.336, year: 2013
Permanent Link: http://hdl.handle.net/11104/0223073 - 7.0392935 - ÚFCH JH 2014 RIV US eng J - Journal Article
Záliš, Stanislav - Milne, C. J. - Nahhas, A. E. - Blanco-Rodríguez, A. M. - van der Veen, R. M. - Vlček, Antonín
Re and Br X-ray Absorption Near-Edge Structure Study of the Ground and Excited States of [ReBr(CO)3(bpy)] Interpreted by DFT and TDDFT Calculations.
Inorganic Chemistry. Roč. 52, č. 10 (2013), s. 5775-5785. ISSN 0020-1669. E-ISSN 1520-510X
R&D Projects: GA MŠMT LD11086
Institutional support: RVO:61388955
Keywords : carbonyl-bipyridine complexes * density functional theory * order regular approximation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.794, year: 2013
Permanent Link: http://hdl.handle.net/11104/0221699 - 8.0388677 - ÚFCH JH 2014 RIV US eng J - Journal Article
Nahhas, A. E. - van der Veen, R. M. - Penfold, T. J. - Pham, V. T. - Lima, F. A. - Abela, R. - Blanco-Rodríguez, A. M. - Záliš, Stanislav - Vlček, Antonín - Tavernelli, I. - Rothlisberger, U. - Milne, C. J. - Chergui, M.
X-ray Absorption Spectroscopy of Ground and Excited Rhenium–Carbonyl–Diimine Complexes: Evidence for a Two-Center Electron Transfer.
Journal of Physical Chemistry A. Roč. 117, č. 2 (2013), s. 361-369. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LD11086
Institutional support: RVO:61388955
Keywords : MULTIPLE-SCATTERING CALCULATIONS * STRUCTURAL DETERMINATION * MOLECULAR-DYNAMICS
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.775, year: 2013
Permanent Link: http://hdl.handle.net/11104/0217591 - 9.0385245 - ÚFCH JH 2013 RIV GB eng J - Journal Article
Das, D. - Scherer, T. M. - Das, A. - Mondal, T. K. - Mobin, S. M. - Fiedler, Jan - Priego, J. L. - Jiménez-Aparicio, R. - Kaim, W. - Lahiri, G. K.
The intricate paramagnetic state of [Os(Q)(2)(bpy)](+), Q=4,6-di-tert-butyl-o-iminobenzoquinone.
Dalton Transactions. Roč. 41, č. 38 (2012), s. 11675-11683. ISSN 1477-9226. E-ISSN 1477-9234
R&D Projects: GA MŠMT LD11086
Institutional support: RVO:61388955
Keywords : DENSITY-FUNCTIONAL THEORY * TRANSITION-METAL-COMPLEXES * NON-INNOCENT LIGANDS
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.806, year: 2012
Permanent Link: http://hdl.handle.net/11104/0214570 - 10.0385239 - ÚFCH JH 2013 RIV US eng J - Journal Article
Roy, S. - Sarkar, B. - Imrich, H.-G. - Fiedler, Jan - Záliš, Stanislav - Jimenez-Aparicio, R. - Urbanos, F. A. - Mobin, S. M. - Lahiri, G. K. - Kaim, W.
Charged, but Found "Not Guilty": Innocence of the Suspect Bridging Ligands [RO(O)CNNC(O)OR](2-) = L2- in [(acac)(2)Ru(mu-L)Ru(acac)(2)](n), n = +,0,-,2-.
Inorganic Chemistry. Roč. 51, č. 17 (2012), s. 9273-9281. ISSN 0020-1669. E-ISSN 1520-510X
R&D Projects: GA MŠMT LD11086
Institutional support: RVO:61388955
Keywords : DINUCLEAR RUTHENIUM COMPLEXES * MOLECULAR-ORBITAL METHODS * ANION-RADICAL COMPLEXES
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.593, year: 2012
Permanent Link: http://hdl.handle.net/11104/0007293