Search Results - "Cyrański, M."

Co-crystals of n -alcohols with propyl-, allyl- and propargylamine. Effect of C—C bond saturation on the structural motifs by Prus, B., Boese, R., Cyrański, M., Zachara, J., Dobrzycki, Ł.

“…Abstract only…”
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Insights into reactivity patterns of Ag(II)SO4 with respect to fluoro- and trifluoromethyl-substituted aromatics by Leszczyński, P.J., Budniak, A.K., Grzeszkiewicz, M., Gawraczyński, J., Dobrzycki, Ł., Malinowski, P.J., Jaroń, T., Cyrański, M.K., Szarek, P., Mazej, Z., Grochala, W.

“…[Display omitted] •Reactivity of Ag(II)SO4 towards fluoro- and trifluoromethyl-organics has been screened.•Oxidative CC coupling observed for most organics…”
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Tetrabutylammonium cation in a homoleptic environment of borohydride ligands: [(n-Bu)4N][BH4] and [(n-Bu)4N][Y(BH4)4] by Jaroń, T., Wegner, W., Cyrański, M.K., Dobrzycki, Ł., Grochala, W.

“…A novel solvent-free dual-cation organic–inorganic derivative, tetrabutylammonium yttrium borohydride (TBAYB), has been prepared for the first time and…”
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Structural Aspects of Aromaticity by Krygowski, Tadeusz Marek, Cyrański, Michał Ksawery

“…Krygowski and Cyranski outline the criteria of aromaticity and discuss geometry-based indices of aromaticity and their applications. The interplay between the…”
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Aromaticity: a Theoretical Concept of Immense Practical Importance by Krygowski, T.M., Cyrañski, M.K., Czarnocki, Z., Häfelinger, G., Katritzky, Alan R.

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Aromatic character of the cyclopentadienyl moiety embedded in various chemical environments: a statistical treatment of the structural data by Krygowski, T.M., Ciesielski, A., Cyrański, M.

“…From structural data for 4079 derivatives of cyclopentadienyl and cyclopentadiene bound to all elements from lithium to thallium except carbon, the relation…”
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On the Aromatic Character of the Heterocyclic Bases of DNA and RNA by Cyrański, Michał K, Gilski, Mirosław, Jaskólski, Mariusz, Krygowski, Tadeusz Marek

“…Studies based on ab initio optimized geometries (at B3LYP/6-311+G** and MP2/6-311+G** levels) and on experimental structures retrieved from the Cambridge…”
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2-Chloro-3-cyano-6-phenylpyridine by Cyrañski, M. K., Mieczkowski, J.

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Energetic Aspects of Cyclic Pi-Electron Delocalization:  Evaluation of the Methods of Estimating Aromatic Stabilization Energies by Cyrański, Michał Ksawery

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Separation of the energetic and geometric contributions to the aromaticity of π-electron carbocyclics by Krygowski, Tadeusz Marek, Cyrański, Michal

“…Separation of the aromaticity index HOMA, based on experimental geometry, into energetic and geometric contributions is proposed for carbocyclic π-electron…”
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Aromatic character of the cyclopentadienyl moiety embedded in various chemical environments: a statistical treatment of the structural data by Krygowski, T.M., Ciesielski, A., Cyrański, M.

“…From structural data for 4079 derivatives of cyclopentadienyl and cyclopentadiene bound to all elements from lithium to thallium except carbon, the relation…”
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On the aromatic stabilization energy of the 4N π electron pyrene by Wu, J.I., Dobrowolski, M.A., Cyrański, M.K., Merner, B.L., Bodwell, G.J., Mo, Y., Schleyer, P.v.R.

“…The aromatic stabilization energy (ASE) of pyrene, evaluated with both isodesmic equation and ab initio valence bond (VB) theory-based block localized…”
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To What Extent Can Aromaticity Be Defined Uniquely? by Cyrañski, Michal K, Krygowski, Tadeusz M, Katritzky, Alan R, Schleyer, Paul von Ragué

“…Statistical analyses of quantitative definitions of aromaticity, ASE (aromatic stabilization energies), RE (resonance energies), Λ (magnetic susceptibility…”
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Crystal structures of 5-fluoro-dUrd and its 2 and/or 4-thio analogues: models of substituted dUMP pyrimidine ring interacting with thymidylate synthase by Jarmuła, Adam, Anulewicz, Romana, Leś, Andrzej, Cyrański, Michał K, Adamowicz, Ludwik, Bretner, Maria, Felczak, Krzysztof, Kulikowski, Tadeusz, Krygowski, Tadeusz M, Rode, Wojciech

“…In order to understand the influence on thymidylate synthase interactions with dUMP analogues of the pyrimidine ring 2- and/or 4-thio, and 5-fluoro…”
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Relation between the Substituent Effect and Aromaticity by Krygowski, Tadeusz M, Ejsmont, Krzysztof, Stepień, Beata T, Cyrański, Michał K, Poater, Jordi, Solà, Miquel

“…Molecular geometries of benzene and its 18 monosubstituted derivatives were optimized at B3LYP/6-311+G** level of theory. The changes of π-electron…”
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Facts and artifacts about aromatic stability estimation by Cyrański, Michał K., Schleyer, Paul von Ragué, Krygowski, Tadeusz M., Jiao, Haijun, Hohlneicher, Georg

“…The stability of a set of 105 five-membered π-electron systems (involving aromatic, non-aromatic and anti-aromatic species) was evaluated using six isodesmic…”
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Evidence for strong heterodimeric interactions of phenylboronic acids with amino acids by Rogowska, Paulina, Cyrański, Michał K., Sporzyński, Andrzej, Ciesielski, Arkadiusz

“…Strong heterodimeric interactions of phenylboronic acids with l-proline or betaine are evident in the solid state. The interaction energy is over 23 kcal/mol…”
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Separation of the Energetic and Geometric Contributions to Aromaticity. 2. Analysis of the Aromatic Character of Benzene Rings in Their Various Topological Environments in the Benzenoid Hydrocarbons. Crystal and Molecular Structure of Coronene by Krygowski, Tadeusz Marek, Cyrański, Michał, Ciesielski, Arkadiusz, Świrska, Bożena, Leszczyński, Piotr

“…Statistical analysis of the aromatic character and its geometric and energetic contributions of 167 benzene rings embedded in various topological environments…”
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Global and Local Aromaticity in Porphyrins: An Analysis Based on Molecular Geometries and Nucleus-Independent Chemical Shifts by Cyrañski, Michatl K., Krygowski, Tadeusz M., Wisiorowski, Marcin, van Eikema Hommes, Nicolaas J. R., Schleyer, Paul von Ragué

“…Two pyrrole rings participate in the aromatic structure of porphyrin. Hence, a 22 π‐electron description is better than the usual [18]annulene representation…”
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Global and Local Aromaticity of Linear and Angular Polyacenes by Cyrański, Michał K., Stępień, Beata T., Krygowski, Tadeusz M.

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