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Słowo kluczowe theoretical calculations
2013
A novel complex of zinc tetraphenylporphyrin with two dioxane molecules in a rare attachment. Crystal structure, spectroscopy and theoretical calculations.
Oberda Krzysztof, Deperasińska Irena, Nizhnik Yakov P., Szemik-Hojniak Anna
2012
Derivatives of benzo[b]furan. Part II. Structural studies of derivatives of 2- and 3-benzo[b]furancarboxylic acids.
Drzewiecka Aleksandra, Kozioł Anna E., Ruiz Tomas Pena, Gomez Manuel Fernandez, Struga Marta, Kossakowski J., Ostrowska Kinga, Lis Tadeusz
2010
Influence of proton transfer on the geometry of the donor and acceptor in NHN+ hydrogen bonds.
Majerz Irena, Olovsson Ivar
2025
Intramolecular energy transfer and its influence on the overall quantum yields of Eu3+ and Tb3+ chelates with dimethyl(phenylsulfonyl)amidophosphate ligands
Carneiro Neto Albano N., Nasalska Justyna, Gawryszewska Paula, Trush Viktor A., Sokolnicki Jerzy, Malta Oscar L., Legendziewicz Janina
2019
On the nature of luminescence thermochromism of multinuclear copper(I) benzoate complexes in the crystalline state.
Jarzembska Katarzyna N., Hapka Michał, Kamiński Radosław, Bury Wojciech, Kutniewska Sylwia E., Szarejko Dariusz, Szczęśniak Małgorzata M.
2012
Structure and photochemistry of nitrous acid-methanethiol complexes in solid argon.
Grzechnik Katarzyna, Mielke Zofia
2016
Synthesis, characterization, single crystal X-ray structure, EPR and theoretical studies of a new hybrid inorganic-organic compound [Cu(Hdien)2(H2O)2](pnb)4·4H2O and its structural comparison with related [Cu(en)2(H2O)2](pnb)2.
Kumar Santosh, Sharma Raj Pal, Venugopalan Paloth, Witwicki Maciej, Ferretti Valeria
2017
Towards designing polymers for photovoltaic applications : a DFT and experimental study of polyazomethines with various chemical structures.
Wojtkiewicz Jacek, Iwan Agnieszka, Pilch Marek, Boharewicz Bartosz, Wójcik Kamil, Tazbir Igor, Kamińska Maria