Roald Hoffmann
29PUBLICATIONS
40CO-AUTHORS
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Publications (29)
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|Nov 27, 2025
Band Dispersion and Site Preference in Ternary Transition Metal Silicides, Germanides, and Stannides RTX2 (R = Rare Earth Metal or Ca, Sr, Ba, T = Transition Metal, X = Si, Ge, Sn).Chong Zheng, Volodymyr Babizhetskyy, Michael Baitinger
|Dec 28, 2023
A 21st Century View of Allowed and Forbidden Electrocyclic Reactions.Qingyang Zhou, Garrett Kukier, Igor Gordiy
|Sep 25, 2023
Variations on the Bergman Cyclization Theme: Electrocyclizations of Ionic Penta-, Hepta-, and Octadiynes.Dominic A Sirianni, Xinli Song, Salmika Wairegi
|Sep 27, 2022
Theory of Borazine-Derived Nanothreads: Enumeration, Reaction Pathways, and Piezoelectricity.Tao Wang, En-Shi Xu, Bo Chen
|May 13, 2022
Theoretical Studies of Furan and Thiophene Nanothreads: Structures, Cycloaddition Barriers, and Activation Volumes.Bo Chen, Vincent H Crespi, Roald Hoffmann
|Jun 20, 2020
Varying Electronic Configurations in Compressed Atoms: From the Role of the Spatial Extension of Atomic Orbitals to the Change of Electronic Configuration as an Isobaric Transformation.Roberto Cammi, Martin Rahm, Roald Hoffmann
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Frequent Collaborators
7 joint publications
Bo Chen
5 joint publications
Martin Rahm
3 joint publications
Jean-Paul Malrieu
3 joint publications
Yuta Tsuji
3 joint publications
Roberto Cammi
3 joint publications
John V Badding
2 joint publications
K N Houk
2 joint publications
Sason Shaik
2 joint publications
Thijs Stuyver
2 joint publications
Tao Zeng
