Search results
- 1.0438225 - ÚOCHB 2015 RIV US eng J - Journal Article
MacLeod, M. K. - Michl, Josef
From Ordinary to Blue Emission in Peralkylated n-Oligosilanes: The Calculated Structure of Delocalized and Localized Singlet Excitons.
Journal of Physical Chemistry A. Roč. 118, č. 45 (2014), s. 10538-10553. ISSN 1089-5639. E-ISSN 1520-5215
Institutional support: RVO:61388963
Keywords : polysilane high polymers * density functional methods * molecular orbital methods
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.693, year: 2014
Permanent Link: http://hdl.handle.net/11104/0241682 - 2.0394749 - ÚOCHB 2014 RIV US eng J - Journal Article
MacLeod, M. K. - Michl, Josef
Five Stereoactive Orbitals on Silicon: Charge and Spin Localization in the n-Si4Me10-center dot Radical Anion by Trigonal Bipyramidalization.
Journal of Physical Chemistry Letters. Roč. 4, č. 10 (2013), s. 1649-1653. ISSN 1948-7185
Institutional support: RVO:61388963
Keywords : electronic-structure * absorption-spectroscopy * polysilanes
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 6.687, year: 2013
Permanent Link: http://hdl.handle.net/11104/0223102 - 3.0385751 - ÚOCHB 2013 RIV US eng J - Journal Article
MacLeod, M. K. - Kobr, L. - Michl, Josef
Fifth Stereoactive Orbital on Silicon: Relaxation of the Lowest Singlet Excited State of Octamethyltrisilane.
Journal of Physical Chemistry A. Roč. 116, č. 43 (2012), s. 10507-10517. ISSN 1089-5639. E-ISSN 1520-5215
Grant - others:NSF(US) CHE0848477
Institutional support: RVO:61388963
Keywords : density-functional theory * polysilane high polymers * zeta valence quality * Gaussian-basis sets * electronic-structure
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.771, year: 2012
Permanent Link: http://hdl.handle.net/11104/0007540 - 4.0376088 - ÚOCHB 2012 RIV CZ eng J - Journal Article
MacLeod, M. K. - Michl, Josef
Why do disilanes fail to fluoresce?
Collection of Czechoslovak Chemical Communications. Roč. 76, č. 12 (2011), s. 2085-2116. ISSN 0010-0765
Institutional research plan: CEZ:AV0Z40550506
Keywords : excited states * relaxed excited state * excited state potential energy minima * molecular orbitals
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.283, year: 2011
Permanent Link: http://hdl.handle.net/11104/0208585 - 5.0351984 - ÚOCHB 2011 RIV US eng J - Journal Article
Schwerin, A. F. - Johnson, J. C. - Smith, M. B. - Sreearunothai, P. - Popovič, D. - Černý, Jiří - Havlas, Zdeněk - Paci, I. - Akdag, A. - MacLeod, M. K. - Chen, X. - David, D. E. - Ratner, M. A. - Miller, J. R. - Nozik, A. J. - Michl, Josef
Toward Designed Singlet Fission: Electronic States and Photophysics of 1,3-Diphenylisobenzofuran.
Journal of Physical Chemistry A. Roč. 114, č. 3 (2010), s. 1457-1473. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT ME09114
Grant - others:NSF(US) OISE-0532040
Institutional research plan: CEZ:AV0Z40550506
Keywords : photophysics * singlet fission * DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.732, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006180