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David Danovich
David Danovich
Institute of Chemistry, The Hebrew University
Bestätigte E-Mail-Adresse bei mail.huji.ac.il - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Two‐state reactivity in organometallic gas‐phase ion chemistry
S Shaik, D Danovich, A Fiedler, D Schröder, H Schwarz
Helvetica chimica acta 78 (6), 1393-1407, 1995
3371995
Charge-shift bonding and its manifestations in chemistry
S Shaik, D Danovich, W Wu, PC Hiberty
Nature chemistry 1 (6), 443-449, 2009
3222009
Spin−Orbit Coupling in the Oxidative Activation of H−H by FeO+. Selection Rules and Reactivity Effects
D Danovich, S Shaik
Journal of the American Chemical Society 119 (7), 1773-1786, 1997
2811997
A Different Story of π-delocalization the Distortivity of π-electrons and Its Chemical Manifestations
S Shaik, A Shurki, D Danovich, PC Hiberty
Chemical Reviews 101 (5), 1501-1540, 2001
2732001
Charge‐shift bonding—a class of electron‐pair bonds that emerges from valence bond theory and is supported by the electron localization function approach
S Shaik, D Danovich, B Silvi, DL Lauvergnat, PC Hiberty
Chemistry–A European Journal 11 (21), 6358-6371, 2005
2352005
On the nature of the halogen bond
C Wang, D Danovich, Y Mo, S Shaik
Journal of chemical theory and computation 10 (9), 3726-3737, 2014
2302014
Structure and reactivity/selectivity control by oriented-external electric fields
S Shaik, R Ramanan, D Danovich, D Mandal
Chemical Society Reviews 47 (14), 5125-5145, 2018
2272018
Dihydrogen contacts in alkanes are subtle but not faint
J Echeverría, G Aullón, D Danovich, S Shaik, S Alvarez
Nature chemistry 3 (4), 323-330, 2011
2182011
Quadruple bonding in C2 and analogous eight-valence electron species
S Shaik, D Danovich, W Wu, P Su, HS Rzepa, PC Hiberty
Nature chemistry 4 (3), 195-200, 2012
2132012
Why Does Benzene Possess a D6h Symmetry? A Quasiclassical State Approach for Probing. pi.-Bonding and Delocalization Energies
PC Hiberty, D Danovich, A Shurki, S Shaik
Journal of the American Chemical Society 117 (29), 7760-7768, 1995
1571995
The “rebound controversy”: an overview and theoretical modeling of the rebound step in C− H hydroxylation by cytochrome P450
S Shaik, S Cohen, SP De Visser, PK Sharma, D Kumar, S Kozuch, ...
European Journal of Inorganic Chemistry 2004 (2), 207-226, 2004
1302004
Electric-field mediated chemistry: uncovering and exploiting the potential of (oriented) electric fields to exert chemical catalysis and reaction control
S Shaik, D Danovich, J Joy, Z Wang, T Stuyver
Journal of the American Chemical Society 142 (29), 12551-12562, 2020
1062020
Understanding the Nature of the CH··· HC Interactions in Alkanes
D Danovich, S Shaik, F Neese, J Echeverria, G Aullon, S Alvarez
Journal of Chemical Theory and Computation 9 (4), 1977-1991, 2013
1022013
Origins of the Exalted b2u Frequency in the First Excited State of Benzene
S Shaik, A Shurki, D Danovich, PC Hiberty
Journal of the American Chemical Society 118 (3), 666-671, 1996
931996
Oriented-external electric fields create absolute enantioselectivity in Diels–Alder reactions: Importance of the molecular dipole moment
Z Wang, D Danovich, R Ramanan, S Shaik
Journal of the American Chemical Society 140 (41), 13350-13359, 2018
912018
A single transition state serves two mechanisms: an ab initio classical trajectory study of the electron transfer and substitution mechanisms in reactions of ketyl radical …
V Bakken, D Danovich, S Shaik, HB Schlegel
Journal of the American Chemical Society 123 (1), 130-134, 2001
822001
Green's function methods for calculating ionization potentials, electron affinities, and excitation energies
D Danovich
Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (3), 377-387, 2011
792011
Chemistry is about energy and its changes: A critique of bond-length/bond-strength correlations
M Kaupp, D Danovich, S Shaik
Coordination Chemistry Reviews 344, 355-362, 2017
772017
The Nature of the Fourth Bond in the Ground State of C2: The Quadruple Bond Conundrum
D Danovich, PC Hiberty, W Wu, HS Rzepa, S Shaik
Chemistry–A European Journal 20 (21), 6220-6232, 2014
752014
Electron-transfer reactivity in the activation of organic fluorides by bare metal monocations
JN Harvey, D Schröder, W Koch, D Danovich, S Shaik, H Schwarz
Chemical physics letters 278 (4-6), 391-397, 1997
741997
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