화학공학소재연구정보센터
검색결과 : 26건
No. Article
1 Origin of the Solvatochromism in Organic Fluorophores with Flexible Side Chains: A Case Study of Flugi-2
Wolff FE, Hofener S, Elstner M, Wesolowski TA
Journal of Physical Chemistry A, 123(21), 4581, 2019
2 Frozen-Density Embedding Strategy for Multilevel Simulations of Electronic Structure
Wesolowski TA, Shedge S, Zhou XW
Chemical Reviews, 115(12), 5891, 2015
3 Ion Pair-pi Interactions
Fujisawa K, Humbert-Droz M, Letrun R, Vauthey E, Wesolowski TA, Sakai N, Matile S
Journal of the American Chemical Society, 137(34), 11047, 2015
4 Rigid Urea and Self-Healing Thiourea Ethanlamine Monolayers
Stefaniu C, Zaffalon PL, Carmine A, Verolet Q, Fernandez S, Wesolowski TA, Brezesinski G, Zumbuehl A
Langmuir, 31(4), 1296, 2015
5 Spectral Tuning of Rhodopsin and Visual Cone Pigments
Zhou XW, Sundholm D, Wesolowski TA, Kaila VRI
Journal of the American Chemical Society, 136(7), 2723, 2014
6 Importance of the Intermolecular Pauli Repulsion in Embedding Calculations for Molecular Properties: The Case of Excitation Energies for a Chromophore in Hydrogen-Bonded Environments
Fradelos G, Wesolowski TA
Journal of Physical Chemistry A, 115(35), 10018, 2011
7 Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers
Lemonnier JF, Guenee L, Beuchat C, Wesolowski TA, Mukherjee P, Waldeck DH, Gogick KA, Petoud S, Piguet C
Journal of the American Chemical Society, 133(40), 16219, 2011
8 Modeling Solvatochromic Shifts Using the Orbital-Free Embedding Potential at Statistically Mechanically Averaged Solvent Density
Kaminski JW, Gusarov S, Wesolowski TA, Kovalenko A
Journal of Physical Chemistry A, 114(20), 6082, 2010
9 Cooperative Effect of Hydrogen-Bonded Chains in the Environment of pi -> pi* Chromophore
Fradelos G, Kaminski JW, Wesolowski TA, Leutwyler S
Journal of Physical Chemistry A, 113(36), 9766, 2009
10 LiSc(BH4)(4): A novel salt of Li+ and discrete Sc(BH4)(4)(-) complex anions
Hagemann H, Longhini M, Kaminski JW, Wesolowski TA, Cerny R, Penin N, Sorby MH, Hauback BC, Severa G, Jensen CM
Journal of Physical Chemistry A, 112(33), 7551, 2008