Results 141 to 150 of about 114,417 (310)
Angewandte Chemie, EarlyView.A set of conjugation‐ready Staphylococcus aureus serotype 5 oligosaccharides has been generated using a stereoselective [3 + 3n] glycosylation strategy. The structures differ in chain length (up to three repeating units) and O‐ and N‐acetylation pattern.
Kitt E. Østerlid +15 more
wiley +2 more sources
Dihedral angle and secondary structure database of short amino acid fragments [PDF]
, 2006 Saravanan Dayalan +3 more
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Asian Journal of Organic Chemistry, EarlyView.Abstract This publication presents the geometries of 157 nitro‐ and polynitropyrazoles. Among these, 109 compounds were theoretically studied using mainly the B3LYP/6–311++G(d,p) level of theory. Three‐parameter Lee‐Yang‐Parr (B3LYP) is a density functional theory (DFT) method widely used in computational chemistry and constitutes an acceptable ...
Rosa M. Claramunt +3 more
wiley +1 more source
Angewandte Chemie, EarlyView.At doping ratios ranging from 1 to 12 wt%, the BN‐S and BN‐Se‐based sensitizer‐free OLEDs exhibited nearly unchanged EL spectra with small FWHMs of 27–30 nm and EQEmax of 36.4–43.1%. The BN‐Se‐based OLED exhibited low efficiency roll‐off, with EQEs remaining at 36.7 and 31.8% at 100 and 1000 cd m−2, respectively, representing the best EL performance ...
Futong Liu +9 more
wiley +2 more sources
Synthesis and Physical Properties of Salphen‐Conjugated TTF‐Metal Complex [CuII(TTF‐Salphen)]2PF6
Asian Journal of Organic Chemistry, EarlyView.A paramagnetic metal complex, [Cu(TTF‐Salphen)], in which a tetrathiafulvalene (TTF) moiety is conjugated with a Salphen coordination site, was synthesized as a potential candidate for a new π‐d system. Its radical salt, [Cu(TTF‐Salphen)]2PF6, exhibits high electrical conductivity with semiconducting behavior, attributed to its columnar stacking ...
Daiki Tauchi +7 more
wiley +1 more source
Chloromethoxytrityls: Tuning the SOMO Level of Stable Luminescent Radicals
Angewandte Chemie, EarlyView.In this work, we use chlorine and methoxy groups to control the singly occupied molecular orbital level of triarylmethyl radicals within a wide range of 1.8 eV and establish structure‐properties relationships between the substituents and photophysical properties of triarylmethyl radicals. Abstract Luminescent radicals are of significant recent interest
Hannah E. Hackney +3 more
wiley +2 more sources
Synthesis of Novel Dihydropyridine‐Iminium Salts Containing a Selenazine Core
Asian Journal of Organic Chemistry, EarlyView.An efficient method to develop novel dihydropyrido[3,2‐e][1,3]selenazines iminium salts. A comparative study of the key reagent selenourea towards thiourea and urea was carried out to assess the contribution of chalcogen to the pathway. DFT (density functional theory) calculations have predicted the optimized minimum energy structure for the hybrid ...
Reinier Lemos +6 more
wiley +1 more source
Dihedral-angle Gaussian distribution driving protein folding [PDF]
, 2007 Pedro Hugo de Figueirêdo +3 more
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The Pentafluorophenyl Cation: A Superelectrophile and Diradical
Angewandte Chemie, EarlyView.From radical to diradical cation. Photoionization (PI) of the thermally generated pentafluorophenyl radical yields the pentafluorophenyl cation in the gas phase. This cation is found to be a diradical with nearly degenerate open‐shell singlet and triplet ground states, and it is even more unstable than the parent phenyl cation by ∼40 kcal mol−1 ...
Enrique Mendez‐Vega +4 more
wiley +2 more sources
Measuring the dihedral angle of water at a grain boundary in ice by an optical diffraction method
, 1991 M. E. R. Walford, J. F. Nye
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