David Danovich
David Danovich
Verified email at mail.huji.ac.il - Homepage
TitleCited byYear
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
2881995
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
2571997
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
2452001
Charge-shift bonding and its manifestations in chemistry
S Shaik, D Danovich, W Wu, PC Hiberty
Nature chemistry 1 (6), 443, 2009
2282009
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
1882005
Encyclopedia of computational chemistry
P von Ragué Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ...
1811998
Dihydrogen contacts in alkanes are subtle but not faint
J Echeverría, G Aullón, D Danovich, S Shaik, S Alvarez
Nature chemistry 3 (4), 323, 2011
1692011
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, 2012
1512012
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
1491995
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
1412014
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
992004
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
841996
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
762013
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
721997
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
712001
Spin−Orbit Coupling Patterns Induced by Twist and Pyramidalization Modes in C2H4:  A Quantitative Study and a Qualitative Analysis
D Danovich, CM Marian, T Neuheuser, SD Peyerimhoff, S Shaik
The Journal of Physical Chemistry A 102 (29), 5923-5936, 1998
671998
17O, 31P and 183W NMR spectra of paramagnetic complexes with the heteropolytungstate anion [Ln (PW11O39) 2] 11− and their co
MA Fedotov, BZ Pertsikov, DK Danovich
Polyhedron 9 (10), 1249-1256, 1990
641990
A different story of benzene
S Shaik, A Shurki, D Danovich, PC Hiberty
Journal of Molecular Structure: THEOCHEM 398, 155-167, 1997
631997
The First Persistent β‐Silyl‐Substituted Vinyl Cation
HU Siehl, FP Kaufmann, Y Apeloig, V Braude, D Danovich, A Berndt, ...
Angewandte Chemie International Edition in English 30 (11), 1479-1482, 1991
621991
Does solvation cause symmetry breaking in the ion in aqueous solution?
RM Lynden-Bell, R Kosloff, S Ruhman, D Danovich, J Vala
The Journal of chemical physics 109 (22), 9928-9937, 1998
611998
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Articles 1–20