David Danovich, Ph. D

Affiliations: 
Lise Meitner Minerva Center for Computational Quantum Chemistry  Hebrew University, Jerusalem, Jerusalem, Israel 
Area:
Quantum Chemistry, Valence Bond Modeling, Bonding of small molecules and clusters
Website:
http://yfaat.ch.huji.ac.il/david.html
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"David Danovich"
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Publications

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Mo Y, Danovich D, Shaik S. (2022) Correction to: The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods. Journal of Molecular Modeling. 28: 331
Shaik S, Danovich D, Hiberty PC. (2022) On the nature of the chemical bond in valence bond theory. The Journal of Chemical Physics. 157: 090901
Mo Y, Danovich D, Shaik S. (2022) The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods. Journal of Molecular Modeling. 28: 274
Joy J, Danovich D, Shaik S. (2021) Nature of the Trigger Linkage in Explosive Materials Is a Charge-Shift Bond. The Journal of Organic Chemistry. 86: 15588-15596
Shaik S, Danovich D, Hiberty PC. (2021) Valence Bond Theory-Its Birth, Struggles with Molecular Orbital Theory, Its Present State and Future Prospects. Molecules (Basel, Switzerland). 26
Truhlar DG, Hiberty PC, Shaik S, et al. (2020) Corrigendum: Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments. Angewandte Chemie (International Ed. in English). 59: 12574
Joy J, Danovich D, Kaupp M, et al. (2020) On the Covalent vs. Charge-Shift Nature of the Metal-Metal Bond in Transition Metal Complexes: A Unified Understanding. Journal of the American Chemical Society
Shaik S, Danovich D, Joy J, et al. (2020) Electric-field mediated chemistry: uncovering and exploiting the potential of (oriented) electric fields to exert chemical catalysis and reaction control. Journal of the American Chemical Society
Truhlar DG, Hiberty PC, Shaik S, et al. (2020) Berichtigung: Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments Angewandte Chemie. 132: 12674-12674
Stuyver T, Huang J, Mallick D, et al. (2019) TITAN: A Code for Modeling and Generating Electric Fields-Features and Applications to Enzymatic Reactivity. Journal of Computational Chemistry
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