Results 91 to 100 of about 12,516,327 (120)

On the Question of the Application Potential and the Molecular Mechanism of the Formation of 1,3-Diaryl-5-Nitropyrazoles from Trichloromethylated Diarylnitropyrazolines. [PDF]

Molecules
Kula K, Jasiński R.
europepmc   +1 more source

Regioselective synthesis of novel spiro-isoxazolines congeners as antimicrobial agents: <i>in vitro</i> and <i>in-silico</i> assessments. [PDF]

Front Chem
Bouzammit R, Ait Assou S, Er-Rajy M, Aflak N, Bahsis L, Chalkha M, El Hassouni M, Lachkar M, Ben Hadda T, Benson D, Alyousef AA, Aboul-Soud MAM, Giesy JP, Al Houari G.   +13 more
europepmc   +1 more source

The Puzzle of the New Type of Intermediate in the Course of [2 + 2] Cycloaddition with the Participation of Conjugated Nitroalkenes: MEDT Computational Study. [PDF]

Molecules
Jasiński R, Kącka-Zych A.
europepmc   +1 more source

A Comprehensive Study of the Synthesis, Spectral Characteristics, Quantum-Chemical Molecular Electron Density Theory, and In Silico Future Perspective of Novel CBr₃-Functionalyzed Nitro-2-Isoxazolines Obtained via (3 + 2) Cycloaddition of (<i>E</i>)-3,3,3-Tribromo-1-Nitroprop-1-ene. [PDF]

Molecules
Zawadzińska-Wrochniak K, Kula K, Ríos-Gutiérrez M, Gostyński B, Krawczyk T, Jasiński R.   +5 more
europepmc   +1 more source

Mechanistic Aspects of [3+2] Cycloaddition Reaction of Trifluoroacetonitrile with Diarylnitrilimines in Light of Molecular Electron Density Theory Quantum Chemical Study. [PDF]

Molecules
Łapczuk A, Ríos-Gutiérrez M.
europepmc   +1 more source

In Silico Study About Substituent Effects, Electronic Properties, and the Biological Potential of 1,3-Butadiene Analogues. [PDF]

Int J Mol Sci
Kula K, Kuś E.
europepmc   +1 more source

Indenoquinoxaline-Based Spiro-Heterocycles: Synthesis, Structural Characterization, MEDT Study, and Dual Inhibition of Kinase-Related Enzymes EGFR and VEGFR2. [PDF]

Chem Biodivers
Alayyaf AA, Alamary AS, Islam MS, Ali M, Barakat A, Bari A, Domingo LR, Darwish KM, Khamis MA, Emara M, Elshamy AM, Mirgany TO, Nafie MS.   +12 more
europepmc   +1 more source

On the Question of the Regio-, Stereoselectivity and the Molecular Mechanism of the (3+2) Cycloaddition Reaction Between (<i>Z</i>)-C-Phenyl-N-alkyl(phenyl)nitrones and (<i>E</i>)-3-(Methylsulfonyl)-propenoic Acid Derivatives. [PDF]

Molecules
Ząbkowska M, Kula K, Diychuk V, Jasiński R.   +3 more
europepmc   +1 more source

Zwitterionic Pathway in the Diels-Alder Reaction: Solvent and Substituent Effects from ωB97XD/6-311G(d) Calculations. [PDF]

Molecules
Łapczuk A.
europepmc   +1 more source

Substituent and Ring-Number Effects on the Kinetics of PAH + OH Reactions: A QSAR-DOE Approach with Tunneling Corrections. [PDF]

Molecules
Parzych C, Baradyn M, Ratkiewicz A.
europepmc   +1 more source