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 clustersWebsite:
http://yfaat.ch.huji.ac.il/david.htmlGoogle:
"David Danovich"Mean distance: 8.6 | S | N | B | C | P |
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Publications
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| Shaik S, Danovich D, Zare RN. (2023) Valence Bond Theory Allows a Generalized Description of Hydrogen Bonding. Journal of the American Chemical Society |
| Jain S, Danovich D, Radenković S, et al. (2023) Dichotomy of Delocalization/Localization and Charge-Shift Bonding in Germanazene and Its Heavier Group 14 Analogues: A Valence Bond Study. Chemistry (Weinheim An Der Bergstrasse, Germany). e202300992 |
| 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 |