Europe PMC

Nature of the Fe-O2 bonding in oxy-myoglobin: effect of the protein.

The nature of the Fe-O2 bonding in oxy-myoglobin was probed by theoretical calculations: (a) QM/MM (hybrid quantum mechanical/molecular mechanical) calculations using DFT/MM and CASSCF/MM methods and ...
IEEE

Understanding and Optimizing Oxygen Plasma Treatment for Enhanced Cu-Cu Bonding Application

Abstract: This study investigates the optimization of O2 plasma treatment conditions to enhance Cu-Cu bonding. The O2 plasma treatment conditions were optimized using Design of Experiments (DOE), ...
Europe PMC

The McClure and Weiss models of Fe-O2 bonding for oxyhemes, and the HbO2 + NO reaction.

For the Fe-O2(S = 0) linkages of oxyhemes, valence bond (VB) structures are re-presented for the McClure [Fe(II)(S = 1) + O2(S = 1)], Pauling-Coryell [Fe(II)(S = 0 ...
C&EN

O 2 – ·[Polar VOC] Complexes: H-Bonding versus Charge–Dipole Interactions, and the Noninnocence of Formaldehyde

Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to ...