A software package, called DFTBaby, is published, which provides the electronic structure needed for running non-adiabatic molecular dynamics simulations at the level of charge-consistent tight-binding DFT.
Humeniuk, Alexander, Mitric, Roland
core +1 more source
Pentaketides and 5-p-Hydroxyphenyl-2-pyridone Derivative from the Culture Extract of a Marine Sponge-Associated Fungus Hamigera avellanea KUFA0732. [PDF]
Klaram R +9 more
europepmc +1 more source
Two New 4-Hydroxy-2-pyridone Alkaloids with Antimicrobial and Cytotoxic Activities from Arthrinium sp. GZWMJZ-606 Endophytic with Houttuynia cordata Thunb. [PDF]
Yin Y +7 more
europepmc +1 more source
The reaction of acyclic enaminones with methoxymethylene Meldrum's acid afforded N-adduct and/or C-adduct of enaminones in moderate to good yields. The regiochemistry of this reaction depends on the N-amino substituent of the enaminone. The C-adduct is a
Cunha Silvio +4 more
doaj
A 2-pyridone amide inhibitor of transcriptional activity in Chlamydia trachomatis. [PDF]
Núñez-Otero C +8 more
europepmc +1 more source
6-Halo-2-pyridone as an efficient organocatalyst for ester aminolysis. [PDF]
Yamada T, Watanabe Y, Okamoto S.
europepmc +1 more source
One-pot two-step catalytic synthesis of 6-amino-2-pyridone-3,5-dicarbonitriles enabling anti-cancer bioactivity. [PDF]
Nicely LG +6 more
europepmc +1 more source
2-Pyridone natural products as inhibitors of SARS-CoV-2 main protease. [PDF]
Forrestall KL +4 more
europepmc +1 more source
Synthesis and Decarboxylation of Functionalized 2-Pyridone-3-carboxylic Acids and Evaluation of their Antimicrobial Activity and Molecular Docking. [PDF]
Meghrazi Ahadi E +6 more
europepmc +1 more source
CXXXI.—Benzeneazo-2-pyridone [PDF]
William Hobson Mills, Sibyl T. Widdows
openaire +1 more source

