Results 151 to 160 of about 6,048 (214)

Adsorption and sensing performance of graphenylene nanosheet toward chlorofluorocarbons; a theoretical study. [PDF]

RSC Adv
Ali F, Hussain R, Hussain J, Rani S, Yawer MA, Hussain A, Ali B, Ayub K.   +7 more
europepmc   +1 more source

Ru(II)-Catalyzed C-H Sulfonamidation of the Medicinally Relevant Benzodiazepine Scaffolds. [PDF]

Org Lett
Rav S, Gupta SS, Sarthi, Hassell-Hart S, Markby G, Cox H, Spencer J, Sharma U.   +7 more
europepmc   +1 more source

DFT study on tunable electronic and adsorption properties of poly(vinyl alcohol)/copper oxide/graphene oxide hybrid nanostructures. [PDF]

Sci Rep
Ibrahim A, El Aal MA, El-Zahed H, Mabied AF.   +3 more
europepmc   +1 more source

DFT design of PO₄@C₆₀ nanohybrid unveils superelectrophilic molecular metamorphosis with molecular dynamics exhibiting therapeutic potential against p53 cancer mutant Y220C. [PDF]

RSC Adv
Laverne RJ, Shukla SK, Mishra AK.
europepmc   +1 more source

Complex Network and QTAIM Analyses Reveal the Dominance of Structural over Electronic Modulation in Supercritical Water under Ion-Free and Ionic Conditions. [PDF]

ACS Omega
Nogueira AG, Sousa da Mata A, Ramalho TC.   +2 more
europepmc   +1 more source

Homoleptic teflate coordination at platinum(iv): synthesis and characterization of [Pt(OTeF₅)₆]^2-, and covalency trends revealed by the OSLO method. [PDF]

Chem Sci
Limberg N, Mack J, Pérez-Bitrián A, Dallmann A, Steinhauer S, Riedel S.   +5 more
europepmc   +1 more source

Mannich reaction with organozinc reagents in continuous flow: experimental and computational studies. [PDF]

RSC Adv
Fraile-González L, Sánchez-González Á, Peña LF, López E.   +3 more
europepmc   +1 more source

Orbital Tuning of the β-Lactam Warhead: Intrinsic n → π* Preactivation in Cephalosporins. [PDF]

J Phys Chem Lett
Mato S, Municio S, Alonso JL, Alonso ER, León I.   +4 more
europepmc   +1 more source

Unveiling the Electronic and Optoelectronic Behavior of Phenothiazine Derivatives through Theoretical Insights. [PDF]

ACS Omega
Panneerselvam M, Sri Gayathri AN, Deepan Kumar M, Rama I, Costa LT, Jaccob M.   +5 more
europepmc   +1 more source

Synthesis of 4-Hydroxyacetophenone-Derived Bis-Schiff Bases as Potent Cholinesterase Inhibitors: In Vitro Evaluation, Molecular Docking, DFT, and ADMET Analysis. [PDF]

Chem Biodivers
Daud M, Zainab Z, Alam A, Ahmad I, Elhenawy AA, Latif A, Ali M, Shah SAA, Imran S, Alanazi AS, Alanazi MM, Ahmad M.   +11 more
europepmc   +1 more source