David Danovich

Affiliations

Department of Organic Chemistry and the Lise Meitner-Minerva Centre for Computational Quantum Chemistry , The Hebrew University , Jerusalem 91904 , Israel.

ORCID: http://orcid.org/0000-0002-8730-5119

Publications (23)

Captodative Substitution Enhances the Diradical Character of Compounds, Reduces Aromaticity, and Controls Single-Molecule Conductivity Patterns: A Valence Bond Study.

The journal of physical chemistry. A

Avec: Thijs Stuyver , David Danovich , Sason Shaik

Attraction between electrophilic caps: A counterintuitive case of noncovalent interactions.

Journal of computational chemistry

Avec: Changwei Wang , David Danovich , Sason Shaik , Wei Wu , Yirong Mo

Valence Bond Theory-Its Birth, Struggles with Molecular Orbital Theory, Its Present State and Future Prospects.

Molecules (Basel, Switzerland)

Avec: Sason Shaik , David Danovich , Philippe C Hiberty

Insights into the Trends in the Acidity Strength of Organic and Inorganic Compounds: A Valence-Bond Perspective.

The journal of physical chemistry. A

Avec: Thijs Stuyver , David Danovich , Sason Shaik

Comment on "Decoding real space bonding descriptors in valence bond language" by A. Martín Pendás and E. Francisco, Phys. Chem. Chem. Phys., 2018, 20, 12368.

Physical chemistry chemical physics : PCCP

Avec: Philippe C Hiberty , David Danovich , Sason Shaik

On the nature of the chemical bond in valence bond theory.

The Journal of chemical physics

Avec: Sason Shaik , David Danovich , Philippe C Hiberty

Electrophilic Aromatic Substitution Reactions: Mechanistic Landscape, Electrostatic and Electric-Field Control of Reaction Rates, and Mechanistic Crossovers.

Journal of the American Chemical Society

Avec: Thijs Stuyver , David Danovich , Frank De Proft , Sason Shaik

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)

Avec: Shailja Jain , David Danovich , Slavko Radenković , Sason Shaik

The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods.

Journal of molecular modeling

Avec: Yirong Mo , David Danovich , Sason Shaik

Valence Bond Theory Allows a Generalized Description of Hydrogen Bonding.

Journal of the American Chemical Society

Avec: Sason Shaik , David Danovich , Richard N Zare

Sulfonium Cation in the Service of π-Acid Catalysis.

Angewandte Chemie (International ed. in English)

Avec: Ruiping Li , Mohammad Zafar , David Danovich , Vasudevan Subramaniyan , Françoise Tibika , Yuri Tulchinsky

Charge-Shift Bonding: A New and Unique Form of Bonding.

Angewandte Chemie (International ed. in English)

Avec: Sason Shaik , David Danovich , John Morrison Galbraith , Benoît Braïda , Wei Wu , Philippe C Hiberty

TITAN: A Code for Modeling and Generating Electric Fields-Features and Applications to Enzymatic Reactivity.

Journal of computational chemistry

Avec: Thijs Stuyver , Jing Huang , Dibyendu Mallick , David Danovich , Sason 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

Avec: Junjing Gu , Wei Wu , Thijs Stuyver , David Danovich , Roald Hoffmann , Yuta Tsuji , Sason Shaik

Oriented External Electric Fields: Tweezers and Catalysts for Reactivity in Halogen-Bond Complexes.

Journal of the American Chemical Society

Avec: Chao Wang , David Danovich , Hui Chen , Sason Shaik

Dinitrogen Activation within Frustrated Lewis Pairs Is Promoted by Adding External Electric Fields.

The journal of physical chemistry. A

Avec: Shailja Jain , David Danovich , Sason Shaik

A Gravitational-like Relationship of Dispersion Interactions is Exhibited by 40 Pairs of Molecules and Noble Gas Atoms.

Journal of the American Chemical Society

Avec: David Danovich , Alexandre Tkatchenko , Santiago Alvarez , Sason Shaik

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

Avec: Sason Shaik , David Danovich , Jyothish Joy , Zhanfeng Wang , Thijs Stuyver

Covalent vs Charge-Shift Nature of the Metal-Metal Bond in Transition Metal Complexes: A Unified Understanding.

Journal of the American Chemical Society

Avec: Jyothish Joy , David Danovich , Martin Kaupp , Sason Shaik

Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments.

Angewandte Chemie (International ed. in English)

Avec: Donald G Truhlar , Philippe C Hiberty , Sason Shaik , Mark S Gordon , David Danovich

Effect of New York State Electronic Prescribing Mandate on Opioid Prescribing Patterns.

The Journal of emergency medicine

Avec: Dimitry Danovich , Josh Greenstein , Jerel Chacko , Barry Hahn , Brahim Ardolic , Ben Ilyaguyev , Nicole Berwald

Nature of the Trigger Linkage in Explosive Materials Is a Charge-Shift Bond.

The Journal of organic chemistry

Avec: Jyothish Joy , David Danovich , Sason Shaik

International Medical Graduate Advising Recommendations From the Council of Residency Directors in Emergency Medicine Advising Student Committee.

Cureus

Avec: Xiao Chi Zhang , Zachary J Jarou , Dimitry Danovich , Adam R Kellogg , Lucienne Lutfy-Clayton , Adam Kenney , Mary Ann Edens , Emily Hillman

Réseau de co-auteurs

Sason Shaik 20 collaborations

Thijs Stuyver 6 collaborations

Philippe C Hiberty 5 collaborations

Wei Wu 3 collaborations

Jyothish Joy 3 collaborations

Yirong Mo 2 collaborations

Shailja Jain 2 collaborations

Dimitry Danovich 2 collaborations

Changwei Wang 1 collaboration

Frank De Proft 1 collaboration

Slavko Radenković 1 collaboration

Richard N Zare 1 collaboration

Ruiping Li 1 collaboration

Mohammad Zafar 1 collaboration

Vasudevan Subramaniyan 1 collaboration

Françoise Tibika 1 collaboration

Yuri Tulchinsky 1 collaboration

John Morrison Galbraith 1 collaboration

Benoît Braïda 1 collaboration

Jing Huang 1 collaboration

Dibyendu Mallick 1 collaboration

Junjing Gu 1 collaboration

Roald Hoffmann 1 collaboration

Yuta Tsuji 1 collaboration

Chao Wang 1 collaboration

Hui Chen 1 collaboration

Alexandre Tkatchenko 1 collaboration

Santiago Alvarez 1 collaboration

Zhanfeng Wang 1 collaboration

Martin Kaupp 1 collaboration

Donald G Truhlar 1 collaboration

Mark S Gordon 1 collaboration

Josh Greenstein 1 collaboration

Jerel Chacko 1 collaboration

Barry Hahn 1 collaboration

Brahim Ardolic 1 collaboration

Ben Ilyaguyev 1 collaboration

Nicole Berwald 1 collaboration

Xiao Chi Zhang 1 collaboration

Zachary J Jarou 1 collaboration

Adam R Kellogg 1 collaboration

Lucienne Lutfy-Clayton 1 collaboration

Adam Kenney 1 collaboration

Mary Ann Edens 1 collaboration

Emily Hillman 1 collaboration