Results 91 to 100 of about 2,837 (184)

Full Symmetry-Breaking of Electronic and Nuclear Dynamics for Low-Attosecond Resolution of Electronic Chirality. [PDF]

ACS Omega
Xu T, Kong J, Zhou T, Wang Y, Tu J, Azizi A, Kirk SR, Jenkins S.   +7 more
europepmc   +1 more source

Comparative study of armchair and zigzag graphene quantum dots as HIV-1 protease inhibitors. [PDF]

Sci Rep
Ibrahim A, Elhaes H, Ibrahim MA.
europepmc   +1 more source

Interplay between Inter- and Intramolecular Halogen-/Chalcogen-Bonding in Two-Molecule Aggregates Featuring Te^II···I Secondary-Bonding Interactions and in Their Congeners. [PDF]

J Phys Chem A
Gomila RM, Frontera A, Tiekink ERT.
europepmc   +1 more source

A Density Functional Theory-Based Investigation of a pH- and Redox-Driven Tristable [2]Rotaxane in CH₂Cl₂ Dilute Solution. [PDF]

ChemistryOpen
Zazza C, Sanna N, Borocci S, Grandinetti F.   +3 more
europepmc   +1 more source

Design and implementation of Cs/GO/TiO₂ nanocomposite for controlling sulfamethoxazole. [PDF]

Sci Rep
Amin KS, Ghanem MS, Mahmoud MM, El-Srougy AG, Elhaes H, Ibrahim MA.   +5 more
europepmc   +1 more source

Comprehensive Modeling of Acetone Clusters: QTAIM Analysis and QCE Study. [PDF]

J Comput Chem
Baikété J, Malloum A, Conradie J.
europepmc   +1 more source

Oxidation State Dependence of the Actinide M_4/5-Edge XANES of Actinyl (An = U, Np, Pu) Systems. [PDF]

Inorg Chem
Stanistreet-Welsh K, Kerridge A.
europepmc   +1 more source

Residue-Level Affinity Decomposition via Quantum Electron Density: A Multivariable Framework Applied to HIV-1 Protease Inhibitors. [PDF]

J Phys Chem B
Gutiérrez-Flores J, Padilla-Bernal G, Sánchez-Juárez C, Méndez-Orduña DM, Serrano Medina J, García-Gutiérrez P, Zubillaga RA, Vargas R.   +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

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