M
Martin Head-Gordon
Researcher at University of California, Berkeley
Publications - 624
Citations - 87792
Martin Head-Gordon is an academic researcher from University of California, Berkeley. The author has contributed to research in topics: Density functional theory & Excited state. The author has an hindex of 108, co-authored 571 publications receiving 75747 citations. Previous affiliations of Martin Head-Gordon include Goethe University Frankfurt & Monash University, Clayton campus.
Papers
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Journal ArticleDOI
Front Cover: Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory (ChemPhysChem 4/2018)
Jeroen Van der Mynsbrugge,Jeroen Van der Mynsbrugge,Amber Janda,Amber Janda,Li-Chiang Lin,Veronique Van Speybroeck,Martin Head-Gordon,Alexis T. Bell +7 more
TL;DR: Van der Mynsbrugge, Jeroen; Janda, Amber; Lin, Li-Chiang; Van Speybroeck, Veronique; Head-Gordon, Martin; Bell, Alexis T as mentioned in this paper.
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Molecular magnetisabilities computed via finite fields: assessing alternatives to MP2 and revisiting magnetic exaltations in aromatic and antiaromatic species
Tim Stauch,Brad Ganoe,Jonathan M. Wong,Joonho Lee,Adam Rettig,Jiashu Liang,Jie Li,Evgeny Epifanovsky,Teresa Head-Gordon,Martin Head-Gordon,Martin Head-Gordon +10 more
TL;DR: In this paper, the second-order derivatives of the energy with respect to external perturbations are used to avoid the need for analytic second derivatives, which is the case in the case of magnetisabilities.
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Compressed intramolecular dispersion interactions.
TL;DR: It is shown that as few as three localized virtual orbitals per occupied orbital can be enough to capture all pairwise long-range dispersion interactions within a molecule.
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Dissociation of HCl in water nanoclusters: an energy decomposition analysis perspective.
TL;DR: In this article, an energy decomposition analysis based on absolutely localized molecular orbitals (ALMO-EDA) is employed in order to study the importance of frozen interaction, dispersion, polarization, and charge transfer for the ionic dissociation of small HCl-water nanoclusters.