Results 141 to 150 of about 6,329 (206)

Expansion of the Metal-Involving Noncovalent Interaction Repertoire: The Case of Pd(II) and Pt(II) Triel Bonding. [PDF]

Chemphyschem
Gomila RM, Frontera A.
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

From Exposed to Encapsulated: Structural Evolution and Enhanced Stability of Sn-Doped Gold Clusters, SnAu <b>_n</b> (<i>n</i> = 2-20), Revealed by DFT. [PDF]

ACS Omega
Zhu BC, Deng PJ, Bao L, Liu CJ.
europepmc   +1 more source

DFT Investigation of 4-Mercaptoimidazole-Copper(I/II) Redox Chemistry and C2-Substituent Effects: A Minimal Scaffold Study of Ovothiol-Type Redox Cycling. [PDF]

Molecules
Ha DT, Trinh TT.
europepmc   +1 more source

Assessing Zn₁₂O₁₂ nanocage for the elimination of ciprofloxacin from drinking water using DFT simulations. [PDF]

Sci Rep
Ali Q, Khan H, Khan S, Alam M, Shah A, AlAsmari AF, Alasmari F, Khan M.   +7 more
europepmc   +1 more source

Acetatobis(l-arginine)copper(ii) acetate trihydrate: synthesis from l-argininium acetate, structural-electronic insights and <i>in vitro</i> antimicrobial activity. [PDF]

RSC Adv
Direm A, Samai S, Athmani H, Abdelbaky MSM, Parlak C, Abosede O, Garcia-Granda S, Ramasami P.   +7 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

Multicenter Bonding in Wilkinson's Catalyst: A Theoretical Study from a Distorted Monomer to a Localized Dimer. [PDF]

J Phys Chem A
Zaichenko A, Bettinger HF, Fleischer I, Mollenhauer D.   +3 more
europepmc   +1 more source