Author pages are created from data sourced from our academic publisher partnerships and public sources.
- Publications
- Influence
The Conservation of Orbital Symmetry
- R. Woodward, R. Hoffmann
- Chemistry
- 1970
Chemistry remains an experimental science. The theory of chemical bonding leaves much to be desired. Yet, the past 20 years have been marked by a fruitful symbiosis of organic chemistry and molecular… Expand
Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure
- H. Liu, I. Naumov, R. Hoffmann, N. Ashcroft, R. Hemley
- Materials Science, Medicine
- Proceedings of the National Academy of Sciences
- 19 June 2017
Significance Theoretical predictions and subsequent experimental observations of high-temperature superconductivity in dense hydrogen-rich compounds have reinvigorated the field of superconductivity.… Expand
An Extended Hückel Theory. I. Hydrocarbons
- R. Hoffmann
- Chemistry
- 15 September 1963
The Huckel theory, with an extended basis set consisting of 2s and 2p carbon and 1s hydrogen orbitals, with inclusion of overlap and all interactions, yields a good qualitative solution of most… Expand
Atomic and Ionic Radii of Elements 1-96.
- M. Rahm, R. Hoffmann, N. Ashcroft
- Chemistry, Medicine
- Chemistry
- 4 October 2016
Atomic and cationic radii have been calculated for the first 96 elements, together with selected anionic radii. The metric adopted is the average distance from the nucleus where the electron density… Expand
A Chemical and Theoretical Way to Look at Bonding on Surfaces.
- R. Hoffmann
- Materials Science, Physics
- 1 July 1987
Abstract : An account is given of a theoretical approach to surface structure and reactivity that is within the framework of solid state theory, yet strives for chemical ways of interpretation. One… Expand
A little bit of lithium does a lot for hydrogen
- E. Zurek, R. Hoffmann, N. Ashcroft, A. Oganov, A. Lyakhov
- Chemistry, Medicine
- Proceedings of the National Academy of Sciences
- 20 October 2009
From detailed assessments of electronic structure, we find that a combination of significantly quantal elements, six of seven atoms being hydrogen, becomes a stable metal at a pressure approximately… Expand
What might philosophy of science look like if chemists built it?
- R. Hoffmann
- Philosophy, Computer Science
- Synthese
- 26 February 2007
TLDR
Benzene under high pressure: a story of molecular crystals transforming to saturated networks, with a possible intermediate metallic phase.
- X. Wen, R. Hoffmann, N. Ashcroft
- Chemistry, Medicine
- Journal of the American Chemical Society
- 20 May 2011
In a theoretical study, benzene is compressed up to 300 GPa. The transformations found between molecular phases generally match the experimental findings in the moderate pressure regime (<20 GPa):… Expand
Oxygen K near-edge fine structure: An electron-energy-loss investigation with comparisons to new theory for selected 3 d Transition-metal oxides
- L. A. Grunes, R. Leapman, C. Wilker, R. Hoffmann, A. Kunz
- Materials Science
- 15 June 1982
Excitations of the oxygen 1s subshell in selected 3d transition-metal oxides have been studied by inelastic scattering of 75-keU electrons. Striking variations in the near-edge fine structure are… Expand
...
1
2
3
4
5
...