Results 31 to 40 of about 899 (191)
Quadratic response functions in the relativistic four-component Kohn-Sham approximation. [PDF]
, 2008 International audienceA formulation and implementation of the quadratic response function in the adiabatic four-component Kohn-Sham approximation is presented.
Henriksson, Johan +2 more
core +4 more sources
Anomalous Absorption and Photolysis of Iodobenzene [PDF]
Nature, 1949 IODOBENZENE, as a vapour or in solution, is unstable to light, like the alkyl iodides, and lends itself to the same sort of photolytic study. Moreover, we have found that the presence of nitric oxide accelerates the decomposition, as is the case with methyl iodide1.
R. A. DURIE, T. IREDALE, A. H. KINGSBURY
openaire +1 more source
Nickel-catalyzed aryl trifluoromethyl sulfides synthesis: A DFT study [PDF]
, 2019 The Ni-catalyzed trifluoromethylthiolation of aryl halides with [NMe4][SCF3] has been studied with DFT methodology to find out the mechanism governing the reaction.
Jover Modrego, Jesús
core +1 more source
Functionalized Polymer-Supported Pyridine Ligands for Palladium-Catalyzed C(sp3)-H Arylation [PDF]
, 2016 © 2016 American Chemical Society. The use of ligands to tune the reactivity and selectivity of transition-metal catalysts for C(sp3)-H bond activation is a current central challenge.
He, Jian +3 more
core +1 more source
Palladium-Catalyzed [5 + 2] Rollover Annulation of 1-Benzylpyrazoles with Alkynes: A Direct Entry to Tricyclic 2-Benzazepines [PDF]
, 2023 The first Pd-catalyzed [5 + 2] rollover annulation of 1-benzylpyrazoles with alkynes to assemble 10H-benzo[e]pyrazolo[1,5-a]azepines (tricyclic 2-benzazepines) has been developed.
Martínez Yáñez, Nuria +4 more
core +1 more source
Acta Crystallographica Section E: Crystallographic CommunicationsThe structures of four palladium complexes serendipitously isolated after palladium-catalyzed Sonogashira coupling of aryl iodides with terminal alkynes are reported, namely [3,5-bis(trifluoromethyl)phenyl]iodidobis(triphenylphosphane)palladium(II), [Pd ...
Eric Bosch
doaj +1 more source
, 2016 The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity.
Cavallo, Gabriella +6 more
core +3 more sources
Biomedical and Biotechnology Research JournalBackground: The emergence of pesticide resistance in phytopathogenic fungi significantly impacts global crop yields. In this study, three series of 39 9-substituted acridine derivatives were synthesized (13 each of 9-methyl, 9-formyl, and 9-formaldehyde ...
Tianhao Pang +5 more
doaj +1 more source
Selective and Stepwise Functionalization of the Pyridazine Scaffold by Using Thio‐Substituted Pyridazine Building Blocks [PDF]
, 2023 We described a regioselective tri- and tetra-functionalization of the pyridazine scaffold using two readily available building blocks: 3-alkylthio-6-chloropyridazine and 3,4-bis(methylthio)-6-chloropyridazine by performing selective metalations with ...
Brossier, Julie +4 more
core +1 more source
Acta Crystallographica Section E Structure Reports Online, 2007 The title compound, C7H6BrI, is a synthon for the transfer of the 2-iodophenyl residue. Bond lengths and angles are normal, the conformation being characterized by an almost perpendicular arrangement of the Cipso—CH2—Br plane and the plane of the aromatic ring. Instead of halogen–π interactions, the crystal structure is dictated by I⋯Br van-der Waals
Richard Betz, Peter Klüfers
openaire +1 more source