R. Hoffmann

Publications1,018
h-index108
Citations48,416
Highly Influential Citations190
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The Conservation of Orbital Symmetry
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…
Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure
TLDR
The study suggests that dense hydrides consisting of lanthanum and yttrium and related hydrogen polyhedral networks may represent new classes of potential very high-temperature superconductors.
The same and not the same
An Extended Hückel Theory. I. Hydrocarbons
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…
A Chemical and Theoretical Way to Look at Bonding on Surfaces.
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…
Atomic and Ionic Radii of Elements 1-96.
TLDR
The atomic radii as defined in this way correlate well with van der Waals radii derived from crystal structures, and are derived using relativistic all-electron density functional theory calculations, close to the basis set limit.
A little bit of lithium does a lot for hydrogen
TLDR
This work finds that a combination of significantly quantal elements, six of seven atoms being hydrogen, becomes a stable metal at a pressure approximately 1/4 of that required to metalize pure hydrogen itself.
A Hypothetical Dense 3,4-Connected Carbon Net and Related B2C and CN2 Nets Built from 1,4-Cyclohexadienoid Units
This paper describes the geometrical and electronic structure of a hypothetical 3 ,4-co~ected tetragonal allotrope of carbon (space group P42/mmc, No. 131) built from 1,4-cyclohexadiene rings. The…
What might philosophy of science look like if chemists built it?
TLDR
The necessary motion twixt macroscopic and microscopic views of matter in modern chemistry leads to the coexistence of symbolic and iconic representations, and in another way to the deliberate, creative violation of categories.
Representation in Chemistry
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