Results 121 to 130 of about 10,839 (246)

DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B)

open access: yes, 2017
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

A 2-pyridone amide inhibitor of transcriptional activity in Chlamydia trachomatis. [PDF]

open access: yesAntimicrob Agents Chemother, 2023
Núñez-Otero C   +8 more
europepmc   +1 more source

Reaction of acyclic enaminones with methoxymethylene meldrum's acid: synthetic and structural implications

open access: yesJournal of the Brazilian Chemical Society, 2003
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  

2-Pyridone natural products as inhibitors of SARS-CoV-2 main protease. [PDF]

open access: yesChem Biol Interact, 2021
Forrestall KL   +4 more
europepmc   +1 more source

Synthesis of novel 3,5,6-trisubstituted 2-pyridone derivatives and evaluation for their anti-inflammatory activity

open access: green, 2020
Davana S. Gonçalves   +15 more
openalex   +1 more source

CXXXI.—Benzeneazo-2-pyridone [PDF]

open access: yesJ. Chem. Soc., Trans., 1908
William Hobson Mills, Sibyl T. Widdows
openaire   +1 more source

Synthesis of 5-Phosphonyl-2(1H)-pyridones from Primary b-Enaminophosphonate and Acetylenic Esters

open access: diamond, 1995
Francisco Palácios   +3 more
openalex   +1 more source

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