Results 41 to 50 of about 14,524 (254)
A Benchmark of GW Methods for Azabenzenes: Is the GW Approximation Good Enough?
, 2012 Many-body perturbation theory in the GW approximation is a useful method for describing electronic properties associated with charged excitations. A hierarchy of GW methods exists, starting from non-self-consistent G0W0, through partial self-consistency ...
Caruso, Fabio +8 more
core +1 more source
The synthesis and antimicrobial activity of 5-aroxy-2,6-dihydro-1H-pyrrolo[3,4-d] pyridazine-1-ones
Журнал органічної та фармацевтичної хімії, 2019 Aim. To develop an effective method for the synthesis of 5-aroxy-2,6-dihydro-1Н-pyrrolo[3,4-d]pyridazine-1-ones as promising objects to be investigated in the context of their antimicrobial activity. Results and discussion.
A. M. Grozav +5 more
doaj +1 more source
The Cu(OTf)2 catalysed microwave assisted synthesis of a new scaffold, 7-aryl-7,8-dihydropyrido[4,3-c]pyridazin-5(6H)-one [PDF]
, 2014 The synthesis of novel 7-aryl-7,8-dihydropyrido[4,3-c]pyridazin-5(6H)-ones is described including a one-step Mannich-type reaction followed by intramolecular ring closure of ethyl 3-methylpyridazine-4- carboxylate and aldimines, catalysed by the Lewis ...
De Coen, Laurens +5 more
core +2 more sources
Pyridazines. XI. Pyrido[2, 3-d]pyridazines. II
Chemical and Pharmaceutical Bulletin, 1966 8-Oxo-7, 8-dihydropyrido[2, 3-d]pyridazine-5-carboxylic acid, 7-phenyl-8-oxo-7, 8-dihydropyrido[2, 3-d]pyridazine-5-carboxylic acid, and their esters, amides and hydrazides were prepared. Alkaline hydrolysis of 7-phenyl-8-oxo-7, 8-dihydroprido[2, 3-d]pyridazine-5-carboxylates gave phenylhydrazone of 3-formylpicolinic acid and good yields of 3-(2 ...
Ikutoshi Matsuura +2 more
openaire +2 more sources
Empirical LCAO parameters for $\pi$ molecular orbitals in planar organic molecules
, 2008 We present a parametrization within a simplified LCAO model (a type of Hueckel model) for the description of $\pi$ molecular orbitals in organic molecules containing $\pi$-bonds between carbon, nitrogen, or oxygen atoms with $sp^2$ hybridization, which ...
Hawke, Laurence +2 more
core +3 more sources
Single crystal X-ray structure of 3-amino-5-(4-chlorophenyl)pyridazine-4-carbonitrile [PDF]
, 2013 The title compound 3-amino-5-(4-chlorophenyl)pyridazine-4-carbonitrile was prepared by a one-pot three-component reaction of malononitrile with corresponding arylglyoxal in the presence of hydrazine hydrate at room temperature in water and ethanol.
Ahmad Poursattar Marjani +3 more
core +1 more source
Advanced Science, EarlyView.The in situ mass spectrometric identification of the electrogenerated benzylic and phenylic carbocations, whose half‐lives in bulk solutions are on the nanosecond scale, is achieved by taking advantage of the unique stabilization effect of the electrosprayed microdroplets.
Guo‐Shan Zhu, Ren‐Jie Hui, Jun Hu
wiley +1 more source
Chiral bisoxazoline ligands designed to stabilize bimetallic complexes
Beilstein Journal of Organic Chemistry, 2018 Chiral bisoxazoline ligands containing naphthyridine, pyridazine, pyrazole, and phenol bridging units were prepared and shown to form bimetallic complexes with various metal salts.
Deepankar Das +5 more
doaj +1 more source
Acta Crystallographica Section E: Crystallographic Communications, 2019 The title compound, C22H16N4O2, contains two pyridine rings and one methoxycarbonylphenyl group attached to a pyridazine ring which deviates very slightly from planarity.
Mouad Filali +6 more
doaj +1 more source
ChemistryEurope, EarlyView.Nickel complexes showing reversible vapochromic and spin crossover behaviors upon coordination and release of NH3 were synthesized. They bear bidentate pyridazine ligands, which allows for formation of hydrogen bonds between NH3 and the ligand in the second coordination sphere.
Sebastian Rücker +7 more
wiley +1 more source