crystalsReviewThe Crystal Orbital Hamilton Population (COHP)Method as a Tool to Visualize and Analyze ChemicalBonding in Intermetallic CompoundsSimon Steinberg1and Richard Dronskowski1,2, * ID1Institute of Inorganic Chemistry, RWTH Aachen University, D-52056 Aachen, Germany;simon.steinberg@ac.rwth-...
Since its definition 25 years ago, the Crystal Orbital Hamilton Population (COHP) method has been established as an efficient and reliable tool to extract the chemical-bonding information based on electronic-structure calculations of various quantum-chemical types. In this review, we present a brief...
The effect of thed-band center on the oxygenated intermediate *OH is reflected in the binding strength of metal–O bonds. Therefore, the bonding and antibonding states of *OH adsorption on the active centers of SACs and DACs were further analyzed by the crystal orbital Hamilton population (COH...
To understand the chemical bonding of Zr2GaC and Hf2GaC MAX phase, we investigate the Crystal Orbital Hamilton Population (COHP) for M–C, M–Ga, and Ga–C bonds, respectively. The COHP method has been widely applied to investigate the bonding and antibonding analysis of many MAX phases76...
Figure 3. Charge density difference isosurfaces of CO2on LaCoSiHx(001) (A) and on CoHx(0001) (B), C- and O-projected density of states (pDOS) and projected crystal orbital Hamilton population (pCOHP) curves for CO2adsorption on (C) LaCoSiHx(001) and (D) CoHx(0001). ...
A Night Without Starsby Peter F. Hamilton. A Commonwealth novel, sequel toThe Abyss Beyond Dreams,more tightly-written and less digressive than peak Hamilton and the better for it. It would be better to have read the Night’s Dawn and Void trilogies first, but these two stand alone fairly...
Crystal Orbital Hamilton Populations (COHP): Energy- Resolved Visualization of Chemical Bonding in Solids Based on Density-Functional Cal- culations. J. Phys. Chem. 1993, 97, 8617-8624.Steinberg, S.; Dronskowski, R. The Crystal Orbital Hamilton Population (COHP) Method as a Tool to ...
The crystal structure and phase composition of TZQ, meso-TiO2 and ZnO QDs were determined using the XRD analysis shown in Figure 1. The XRD peaks observed in the diffraction profile of ZnO QDs correspond to the crystal planes of the hexagonal Wurtzite phase (JCPDS 01-071-6424). These XRD ...
The Hamilton Institute of Exopaleontology has given most extinct xenosophonts new names, in addition to their HIE designations-The Terran Federation has been changed to the Terragen Federation throughout most of the EG. New Images/Art Animated version by Gann the Derpimann of the Story "Moo...
Hamilton Interesting articles in this volume: 1) Edward L. Munson, M.D. (Assistant Surgeon, U.S. Army) "The Chemistry of Urine in Diabetes Mellitus" JAMA, Vol. XXVIII, 831-836 (May 1, 1897) "On the Treatment of Diabetes Mellitus by a Diet from which All Carbohydrates Have Been ...