Group theory and chemistry (Bishop, David M.)

David M. Hillis

David Hillis was born in Copenhagen, Denmark, and grew up in the Belgian Congo, India, and the United States. His undergraduate training was at Baylor University (BS 1980) and graduate work was at the University of Kansas (PhD 1985). He is currently the Roark Centennial Professor at the University of Texas (Austin). He served as the first Director of the School of Biological Sciences at the Uni...

Profile of David M. Sabatini.

As a young doctoral candidate at the Johns Hopkins University School of Medicine, David M. Sabatini was allowed to choose his own research project for his thesis. He chose to investigate the molecular mechanism of rapamycin, a compound with antifungal, antitumor, and immunosuppressant properties. The decision was pivotal, because Sabatini went on to discover the mechanistic target of rapamycin ...

David M. Raup, 1933-2015.

Enumeration of Conformers of Octahedral [M(ABC)_{6}] Complex on the Basis of Computational Group Theory

Conformers of [M(ABC)6] complex have been enumerated on the basis of computational group theory, where M is the central metal, and ABC is the ligand, bound to M through A. Based on the 16 conformers of the M(AB)6 core unit, 7173 conformers have been found for the [M(ABC)6] complex, which are assigned to nine point groups, 1 D3d, 4 D3, 4 S6, 5 C2h, 7 C3, 182 C2, 15 Cs, 23 Ci, and 6932 C1.

Understanding Hydrogen Adsorption in MIL-47-M (M = V and Fe) through Density Functional Theory

The present paper aims to investigate the role of open metal site metal-organic frameworks (MOFs) on hydrogen adsorptivity using periodic boundary condition (PBC) density functional theory (DFT). Hence, MIL-47-M (M = V and Fe) were selected and one hydrogen molecule adsorptivity was calculated in different orientations on them. Four different chemical sites were identified in every cluster sect...