Results 91 to 100 of about 11,742,928 (131)

A Mechanistic Insight into the Molecular Mechanism of the Thermal Decomposition of Nitroalkyl Phosphates: MEDT Computational Study. [PDF]

Materials (Basel)
Woliński P, Dresler E, Jasiński R.
europepmc   +1 more source

Unveiling the reaction mechanism and the regioselectivity of Diels-Alder cycloadditions between 2-methoxy-3-thiophenylbutadiene and methyl vinyl ketone using topological tools. [PDF]

RSC Adv
Chellegui M, Mohammed Salih SA, Benhamed L, Mohammad-Salimd HA, Ben Ahmed A.   +4 more
europepmc   +1 more source

New spiro-indeno[1,2-b]quinoxalines clubbed with benzimidazole scaffold as CDK2 inhibitors for halting non-small cell lung cancer; stereoselective synthesis, molecular dynamics and structural insights. [PDF]

J Enzyme Inhib Med Chem, 2023
Barakat A, Alshahrani S, Al-Majid AM, Alamary AS, Haukka M, Abu-Serie MM, Domingo LR, Ashraf S, Ul-Haq Z, Nafie MS, Teleb M.   +10 more
europepmc   +1 more source

Innovative regioselective synthesis of dispiro[fluorene-9,3'-pyrazole-5',4″-pyrazolidines]: experimental and computational study. [PDF]

RSC Adv
Hussein EM, Moussa Z, Al-Rooqi MM, Samman SS, Alsimaree AA, Jassas RS, Ahmed SA.   +6 more
europepmc   +1 more source

Unveiling Hydrogen Bonding and Solvent Effects on Directed Nitrile Oxide [3 + 2] Cycloaddition Reactions: Selectivity of 2,2-Dimethylpropane Nitrile Oxide with Cyclopentenylbenzamide: An MEDT Study. [PDF]

ACS Omega
Benmetir S, Benhamed L, Tchouar N, Mohammad-Salim H, de Julián-Ortiz JV, Ríos-Gutiérrez M, Domingo LR.   +6 more
europepmc   +1 more source

Analysis of the Reactivity of Z-2-Ar-1-EWG-1-Nitroethene Molecular Segment in the Hetero Diels-Alder Reaction: Experimental and MEDT Quantum Chemical Study. [PDF]

Molecules
Woliński P, Kącka-Zych A, Wielgus E, Dolot R, Jasiński R.   +4 more
europepmc   +1 more source

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