Roald Hoffmann

Publication Activity (10 Years)

Years Active: 2016-2023
Publications (10 Years): 32

Top Topics

Crystal Structure

Molecular Dynamics

Perovskite Solar Cells

Top Venues

Journal of the American Chemical Society

Angewandte Chemie (International ed. in English)

The Journal of organic chemistry

Chemical reviews

This page only lists publications with an associated author ORCID identifier.

Publications

Qingyang Zhou, Garrett Kukier, Igor Gordiy, Roald Hoffmann, Jeffrey I Seeman, Kendall N Houk
A 21st Century View of Allowed and Forbidden Electrocyclic Reactions. The Journal of organic chemistry (2023)
Dominic A Sirianni, Xinli Song, Salmika Wairegi, Evan B Wang, Sebastian A Mendoza-Gomez, Adam Luxon, Maxwell Zimmerley, Ariana Nussdorf, Michael Filatov Gulak, Roald Hoffmann, Carol A Parish
Variations on the Bergman Cyclization Theme: Electrocyclizations of Ionic Penta-, Hepta-, and Octadiynes. Journal of the American Chemical Society (2023)
Qingyang Zhou, Garrett Kukier, Igor Gordiy, Roald Hoffmann, Jeffrey I Seeman, Kendall N Houk
A 21st Century View of Allowed and Forbidden Electrocyclic Reactions. The Journal of organic chemistry 89 (2) (2023)
Qingyang Zhou, Garrett Kukier, Igor Gordiy, Roald Hoffmann, Jeffrey I Seeman, Kendall N Houk
A 21st Century View of Allowed and Forbidden Electrocyclic Reactions. The Journal of organic chemistry (2023)
Qingyang Zhou, Garrett Kukier, Igor Gordiy, Roald Hoffmann, Jeffrey I Seeman, Kendall N Houk
A 21st Century View of Allowed and Forbidden Electrocyclic Reactions. The Journal of organic chemistry 89 (2) (2023)
Qingyang Zhou, Garrett Kukier, Igor Gordiy, Roald Hoffmann, Jeffrey I Seeman, Kendall N Houk
A 21st Century View of Allowed and Forbidden Electrocyclic Reactions. The Journal of organic chemistry 89 (2) (2023)
Bo Chen, Vincent H Crespi, Roald Hoffmann
Theoretical Studies of Furan and Thiophene Nanothreads: Structures, Cycloaddition Barriers, and Activation Volumes. Journal of the American Chemical Society 144 (20) (2022)
Tao Wang, En-Shi Xu, Bo Chen, Roald Hoffmann, Vincent H Crespi
Theory of Borazine-Derived Nanothreads: Enumeration, Reaction Pathways, and Piezoelectricity. ACS nano 16 (10) (2022)
John M Herbert, Martin Head-Gordon, Hrant P Hratchian, Teresa Head-Gordon, Rommie Elizabeth Amaro, Alán Aspuru-Guzik, Roald Hoffmann, Carol A Parish, Christina M Payne, Troy Van Voorhis
Words Matter: On the Debate over Free Speech, Inclusivity, and Academic Excellence. The journal of physical chemistry letters 13 (30) (2022)
Martin Rahm, Roberto Cammi, N W Ashcroft, Roald Hoffmann
Correction to "Squeezing All Elements in the Periodic Table: Electron Configuration and Electronegativity of the Atoms under Compression". Journal of the American Chemical Society 143 (28) (2021)
Roberto Cammi, Martin Rahm, Roald Hoffmann, N W Ashcroft
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. Journal of chemical theory and computation 16 (8) (2020)
Roald Hoffmann, Jean-Paul Malrieu
Simulation vs. Understanding: A Tension, in Quantum Chemistry and Beyond. Part B. The March of Simulation, for Better or Worse. Angewandte Chemie (International ed. in English) 59 (32) (2020)
Roald Hoffmann, Jean-Paul Malrieu
Simulation vs. Understanding: A Tension, in Quantum Chemistry and Beyond. Part A. Stage Setting. Angewandte Chemie (International ed. in English) 59 (31) (2020)
Roald Hoffmann, Jean-Paul Malrieu
Simulation vs. Understanding: A Tension, in Quantum Chemistry and Beyond. Part C. Toward Consilience. Angewandte Chemie (International ed. in English) 59 (33) (2020)
David McLeod, Mathias Kirk Thøgersen, Nicolaj Inunnguaq Jessen, Karl Anker Jørgensen, Cooper S Jamieson, Xiao-Song Xue, Kendall N Houk, Fang Liu, Roald Hoffmann
Expanding the Frontiers of Higher-Order Cycloadditions. Accounts of chemical research 52 (12) (2019)
Martin Rahm, Roberto Cammi, N W Ashcroft, Roald Hoffmann
Squeezing All Elements in the Periodic Table: Electron Configuration and Electronegativity of the Atoms under Compression. Journal of the American Chemical Society 141 (26) (2019)
Junjing Gu, Wei Wu, Thijs Stuyver, David Danovich, Roald Hoffmann, Yuta Tsuji, Sason S Shaik
Cross Conjugation in Polyenes and Related Hydrocarbons: What Can Be Learned from Valence Bond Theory about Single-Molecule Conductance? Journal of the American Chemical Society 141 (14) (2019)
Thijs Stuyver, Bo Chen, Tao Zeng, Paul Geerlings, Frank De Proft, Roald Hoffmann
Do Diradicals Behave Like Radicals? Chemical reviews 119 (21) (2019)
Xiang Li, Tao Wang, Pu Duan, Maria Baldini, Haw-Tyng Huang, Bo Chen, Stephen J Juhl, Daniel Koeplinger, Vincent H Crespi, Klaus Schmidt-Rohr, Roald Hoffmann, Nasim Alem, Malcolm Guthrie, Zhang Xin, John V Badding
Carbon Nitride Nanothread Crystals Derived from Pyridine. Journal of the American Chemical Society 140 (15) (2018)
Bo Chen, Tao Wang, Vincent H Crespi, Xiang Li, John V Badding, Roald Hoffmann
All the Ways To Have Substituted Nanothreads. Journal of chemical theory and computation 14 (2) (2018)
Priyakumari Chakkingal Parambil, Roald Hoffmann
Alkyl Isosteres. Journal of the American Chemical Society 140 (40) (2018)
Zhi Sun, Kevin B Moore, John Grant Hill, Kirk A Peterson, Henry F Schaefer, Roald Hoffmann
Alkali-Metal Trihalides: M+X3- Ion Pair or MX-X2 Complex? The journal of physical chemistry. B 122 (13) (2018)
Yuta Tsuji, Ernesto Estrada, Ramis Movassagh, Roald Hoffmann
Quantum Interference, Graphs, Walks, and Polynomials. Chemical reviews 118 (10) (2018)
Martin Rahm, Tao Zeng, Roald Hoffmann
Electronegativity Seen as the Ground-State Average Valence Electron Binding Energy. Journal of the American Chemical Society 141 (1) (2018)
Maarten G Goesten, Roald Hoffmann
Mirrors of Bonding in Metal Halide Perovskites. Journal of the American Chemical Society 140 (40) (2018)
Abdel Monem Rawashdeh, Priyakumari Chakkingal Parambil, Tao Zeng, Roald Hoffmann
An Iodabenzene Story. Journal of the American Chemical Society 139 (20) (2017)
Weston Thatcher Borden, Roald Hoffmann, Thijs Stuyver, Bo Chen
Dioxygen: What Makes This Triplet Diradical Kinetically Persistent? Journal of the American Chemical Society 139 (26) (2017)
Bo Chen, Roald Hoffmann, Roberto Cammi
The Effect of Pressure on Organic Reactions in Fluids-a New Theoretical Perspective. Angewandte Chemie (International ed. in English) 56 (37) (2017)
Junjing Gu, Wei Wu, David Danovich, Roald Hoffmann, Yuta Tsuji, Sason S Shaik
Valence Bond Theory Reveals Hidden Delocalized Diradical Character of Polyenes. Journal of the American Chemical Society 139 (27) (2017)
Martin Rahm, Roald Hoffmann, N W Ashcroft
Ternary Gold Hydrides: Routes to Stable and Potentially Superconducting Compounds. Journal of the American Chemical Society 139 (25) (2017)
Xiang Li, Maria Baldini, Tao Wang, Bo Chen, En-Shi Xu, Brian Vermilyea, Vincent H Crespi, Roald Hoffmann, Jamie J Molaison, Christopher A Tulk, Malcolm Guthrie, Stanislav Sinogeikin, John V Badding
Mechanochemical Synthesis of Carbon Nanothread Single Crystals. Journal of the American Chemical Society 139 (45) (2017)
Roald Hoffmann, Artyom A Kabanov, Andrey A Golov, Davide M Proserpio
Homo Citans and Carbon Allotropes: For an Ethics of Citation. Angewandte Chemie (International ed. in English) 55 (37) (2016)