Results 101 to 110 of about 11,742,928 (131)

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

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

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

Syn-Propanethial S-Oxide as an Available Natural Building Block for the Preparation of Nitro-Functionalized, Sulfur-Containing Five-Membered Heterocycles: An MEDT Study. [PDF]

Molecules
Sadowski M, Dresler E, Zawadzińska K, Wróblewska A, Jasiński R.   +4 more
europepmc   +1 more source

On the Question of the Regio-Orientation, Stereo-Orientation and Molecular Mechanism in the Cascade Cycloaddition/Rearrangement/Elimination Processes Leading to Nitro-Substituted Thiopyran Analogs: DFT Computational Study. [PDF]

Int J Mol Sci
Sadowski M, Dresler E, Jasiński R.
europepmc   +1 more source

Unexpected Course of Reaction Between (1E,3E)-1,4-Dinitro-1,3-butadiene and N-Methyl Azomethine Ylide-A Comprehensive Experimental and Quantum-Chemical Study. [PDF]

Molecules
Sadowski M, Kula K.
europepmc   +1 more source

Unveiling the Reaction Mechanism of Diels-Alder Cycloadditions between 2,5-Dimethylfuran and Ethylene Derivatives Using Topological Tools. [PDF]

Chemphyschem
Chellegui M, Adjieufack AI, Trabelsi M, Liégeois V, Champagne B.   +4 more
europepmc   +1 more source