| 1 |
Electric-Field Mediated Chemistry: Uncovering and Exploiting the Potential of (Oriented) Electric Fields to Exert Chemical Catalysis and Reaction Control
Shaik S, Danovich D, Joy J, Wang ZF, Stuyver T
Journal of the American Chemical Society, 142(29), 12551, 2020 |
| 2 |
Covalent vs Charge-Shift Nature of the Metal-Metal Bond in Transition Metal Complexes: A Unified Understanding
Joy J, Danovich D, Kaupp M, Shaik S
Journal of the American Chemical Society, 142(28), 12277, 2020 |
| 3 |
Insights into the Trends in the Acidity Strength of Organic and Inorganic Compounds: A Valence-Bond Perspective
Stuyver T, Danovich D, Shaik S
Journal of Physical Chemistry A, 123(9), 1851, 2019 |
| 4 |
Captodative Substitution Enhances the Diradical Character of Compounds, Reduces Aromaticity, and Controls Single-Molecule Conductivity Patterns: A Valence Bond Study
Stuyver T, Danovich D, Shaik S
Journal of Physical Chemistry A, 123(32), 7133, 2019 |
| 5 |
Oriented External Electric Fields: Tweezers and Catalysts for Reactivity in Halogen-Bond Complexes
Wang C, Danovich D, Chen H, Shaik S
Journal of the American Chemical Society, 141(17), 7122, 2019 |
| 6 |
Cross Conjugation in Polyenes and Related Hydrocarbons: What Can Be Learned from Valence Bond Theory about Single-Molecule Conductance?
Gu JJ, Wu W, Stuyver T, Danovich D, Hoffmann R, Tsuji Y, Shaik S
Journal of the American Chemical Society, 141(14), 6030, 2019 |
| 7 |
Electrophilic Aromatic Substitution Reactions: Mechanistic Landscape, Electrostatic and Electric-Field Control of Reaction Rates, and Mechanistic Crossovers
Stuyver T, Danovich D, De Proft F, Shaik S
Journal of the American Chemical Society, 141(24), 9719, 2019 |
| 8 |
Nature of the Three-Electron Bond
Danovich D, Foroutan-Nejad C, Hiberty PC, Shaik S
Journal of Physical Chemistry A, 122(7), 1873, 2018 |
| 9 |
Catalysis of Methyl Transfer Reactions by Oriented External Electric Fields: Are Gold-Thiolate Linkers Innocent?
Ramanan R, Danovich D, Mandal D, Shaik S
Journal of the American Chemical Society, 140(12), 4354, 2018 |
| 10 |
Oriented-External Electric Fields Create Absolute Enantioselectivity in Diels-Alder Reactions: Importance of the Molecular Dipole Moment
Wang ZF, Danovich D, Ramanan R, Shaik S
Journal of the American Chemical Society, 140(41), 13350, 2018 |
