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1

Quadruple bonding in C2 and analogous eight-valence electron species

Shaik, Sason, Danovich, David, Wu, Wei, Su, Peifeng, Rzepa, Henry S., Hiberty, Philippe C.

Journal:

Nature Chemistry

Year:

2012

Language:

english

File:

PDF, 700 KB

english, 2012

2

A Different Story of π-DelocalizationThe Distortivity of π-Electrons and Its Chemical Manifestations †

Shaik, Sason, Shurki, Avital, Danovich, David, Hiberty, Philippe C.

Journal:

Chemical Reviews

Year:

2001

Language:

english

File:

PDF, 528 KB

english, 2001

3

On The Nature of the Halogen Bond

Wang, Changwei, Danovich, David, Mo, Yirong, Shaik, Sason

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 1.34 MB

english, 2014

4

Charge-Shift Bonding—A Class of Electron-Pair Bonds That Emerges from Valence Bond Theory and Is Supported by the Electron Localization Function Approach

Sason Shaik, David Danovich, Bernard Silvi, David L. Lauvergnat, Philippe C. Hiberty

Journal:

Chemistry - A European Journal

Year:

2005

Language:

english

File:

PDF, 244 KB

english, 2005

5

An electrochemical aromatic chlorination, comparison with electrophilic reaction

L. Appelbaum, D. Danovich, G. Lazanes, M. Michman, M. Oron

Journal:

Journal of Electroanalytical Chemistry

Year:

2001

Language:

english

File:

PDF, 168 KB

english, 2001

6

Direct13C-13C spin-spin coupling constants in the vinyl group of N-vinylazoles

A. V. Afonin, L. B. Krivdin, D. K. Danovich, V. K. Voronov, L. A. Es'kova, B. V. Trzhtsinskaya, L. V. Baikalova, S. R. Buzilova, G. A. Gareev

Journal:

Chemistry of Heterocyclic Compounds

Year:

1989

Language:

english

File:

PDF, 340 KB

english, 1989

7

Charge-shift bonding and its manifestations in chemistry

Shaik, Sason, Danovich, David, Wu, Wei, Hiberty, Philippe C.

Journal:

Nature Chemistry

Year:

2009

Language:

english

File:

PDF, 577 KB

english, 2009

8

A different story of benzene

Sason Shaik, Avital Shurki, David Danovich, Philippe C. Hiberty

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 1.20 MB

english, 1997

9

Understanding the Nature of the CH···HC Interactions in Alkanes

Danovich, David, Shaik, Sason, Neese, Frank, Echeverría, Jorge, Aullón, Gabriel, Alvarez, Santiago

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 610 KB

english, 2013

10

Bound Triplet Pairs in the Highest Spin States of Coinage Metal Clusters

Danovich, David, Shaik, Sason

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 2.53 MB

english, 2010

11

Ionization potentials of porphyrins and phthalocyanines. A comparative benchmark study of fast improvements of Koopman's Theorem

Piet, Dennis P., Danovich, David, Zuilhof, Han, Sudhölter, Ernst J. R.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1999

Language:

english

File:

PDF, 310 KB

english, 1999

12

Chemistry is about energy and its changes: A critique of bond-length/bond-strength correlations

Kaupp, Martin, Danovich, David, Shaik, Sason

Journal:

Coordination Chemistry Reviews

Year:

2017

Language:

english

File:

PDF, 710 KB

english, 2017

13

Dissociation of two-dimensional excitons in monolayer WSe2

Massicotte, Mathieu, Vialla, Fabien, Schmidt, Peter, Lundeberg, Mark B., Latini, Simone, Haastrup, Sten, Danovich, Mark, Davydovskaya, Diana, Watanabe, Kenji, Taniguchi, Takashi, Fal’ko, Vladimir I.,

Journal:

Nature Communications

Year:

2018

Language:

english

File:

PDF, 1.31 MB

english, 2018

14

Structure and reactivity/selectivity control by oriented-external electric fields

Shaik, Sason, Ramanan, Rajeev, Danovich, David, Mandal, Debasish

Journal:

Chemical Society Reviews

Year:

2018

Language:

english

File:

PDF, 5.22 MB

english, 2018

15

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

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

Journal:

Journal of the American Chemical Society

Year:

2019

Language:

english

File:

PDF, 6.08 MB

english, 2019

16

Author Correction: Resonantly hybridized excitons in moiré superlattices in van der Waals heterostructures

Alexeev, Evgeny M., Ruiz-Tijerina, David A., Danovich, Mark, Hamer, Matthew J., Terry, Daniel J., Nayak, Pramoda K., Ahn, Seongjoon, Pak, Sangyeon, Lee, Juwon, Sohn, Jung Inn, Molas, Maciej R., Kopers

Journal:

Year:

2019

File:

PDF, 328 KB

2019

17

Der angeregte Zwillingszustand als Sonde für den Übergangszustand in konzertierten unimolekularen Reaktionen: die Semibullvalen-Umlagerung

Shmuel Zilberg, Yehuda Haas, David Danovich, Sason Shaik

Journal:

Angewandte Chemie

Year:

1998

Language:

german

File:

PDF, 97 KB

german, 1998

18

The Twin-Excited State as a Probe for the Transition State in Concerted Unimolecular Reactions: The Semibullvalene Rearrangement

Shmuel Zilberg, Yehuda Haas, David Danovich, Sason Shaik

Journal:

Angewandte Chemie International Edition

Year:

1998

Language:

english

File:

PDF, 109 KB

english, 1998

19

Silynes (RC≡SiR′) and Disilynes (RSi≡SiR′): Why Are Less Bonds Worth Energetically More?

David Danovich, François Ogliaro, Miriam Karni, Yitzhak Apeloig, David L. Cooper, Sason Shaik

Journal:

Angewandte Chemie

Year:

2001

Language:

german

File:

PDF, 122 KB

german, 2001

20

Silynes (RC≡SiR′) and Disilynes (RSi≡SiR′): Why Are Less Bonds Worth Energetically More?

David Danovich, François Ogliaro, Miriam Karni, Yitzhak Apeloig, David L. Cooper, Sason Shaik

Journal:

Angewandte Chemie International Edition

Year:

2001

Language:

english

File:

PDF, 110 KB

english, 2001

21

Das erste persistente β-Silyl-substituierte Vinyl-Kation

Priv.-Doz. Dr. Hans-Ullrich Siehl, Frank-Peter Kaufmann, Prof. Dr. Yitzhak Apeloig, Vivina Braude, David Danovich, Armin Berndt, Prof. Dr. Nikolaos Stamatis

Journal:

Angewandte Chemie

Year:

1991

Language:

german

File:

PDF, 502 KB

german, 1991

22

Zu einer Definition der maximal zulässigen Annäherung von Radikalanion und Alkylhalogenid im Übergangszustand der Elektronentransferreaktion

Dr. G. Narahari Sastry, Dr. David Danovich, Prof. Dr. Sason Shaik

Journal:

Angewandte Chemie

Year:

1996

File:

PDF, 547 KB

1996

23

Silynes (RC≡SiR′) and Disilynes (RSi≡SiR′): Why Are Less Bonds Worth Energetically More?

David Danovich, François Ogliaro, Miriam Karni, Yitzhak Apeloig, David L. Cooper, Sason Shaik

Journal:

Angewandte Chemie

Year:

2004

Language:

english

File:

PDF, 45 KB

english, 2004

24

The First Persistent β-Silyl-Substituted Vinyl Cation

Priv.-Doz. Dr. Hans- Ullrich Siehl, Dipl.-Chem. Frank-Peter Kaufmann, Prof. Dr. Yitzhak Apeloig, Viviana Braude, David Danovich, Prof. Dr. Armin Berndt, Nikolaos Stamatis

Journal:

Angewandte Chemie International Edition

Year:

1991

Language:

english

File:

PDF, 508 KB

english, 1991

25

Towards the Definition of the Maximum Allowable Tightness of an Electron Transfer Transition State in the Reactions of Radical Anions and Alkyl Halides

Dr. G. Narahari Sastry, Dr. David Danovich, Prof. Dr. Sason Shaik

Journal:

Angewandte Chemie International Edition

Year:

1996

Language:

english

File:

PDF, 413 KB

english, 1996

26

Silynes (RC≡SiR′) and Disilynes (RSi≡SiR′): Why Are Less Bonds Worth Energetically More?

David Danovich, François Ogliaro, Miriam Karni, Yitzhak Apeloig, David L. Cooper, Sason Shaik

Journal:

Angewandte Chemie International Edition

Year:

2004

Language:

english

File:

PDF, 45 KB

english, 2004

27

An Accurate Barrier for the Hydrogen Exchange Reaction from Valence Bond Theory: Is this Theory Coming of Age?

Lingchun Song, Wei Wu, Philippe C. Hiberty, David Danovich, Sason Shaik

Journal:

Chemistry - A European Journal

Year:

2003

Language:

english

File:

PDF, 130 KB

english, 2003

28

ChemInform Abstract: A Different Story of Benzene

S. SHAIK, A. SHURKI, D. DANOVICH, P. C. HIBERTY

Journal:

Year:

1998

File:

PDF, 24 KB

1998

29

ChemInform Abstract: A Different Story of π-Delocalization — The Distortivity of π-Electrons and Its Chemical Manifestations

Sason Shaik, Avital Shurki, David Danovich, Philippe C. Hiberty

Journal:

Year:

2001

File:

PDF, 27 KB

2001

30

The “Rebound Controversy”: An Overview and Theoretical Modeling of the Rebound Step in C—H Hydroxylation by Cytochrome P450

Sason Shaik, Shimrit Cohen, Samuel P. de Visser, Pankaz K. Sharma, Devesh Kumar, Sebastian Kozuch, Francois Ogliaro, David Danovich

Journal:

Year:

2004

File:

PDF, 56 KB

2004

31

The Ground and Excited States of Polyenyl Radicals C2n−1H2n+1 (n=2–13): A Valence Bond Study

Yan Luo, Lingchun Song, Wei Wu, David Danovich, Sason Shaik

Journal:

Year:

2004

Language:

english

File:

PDF, 269 KB

english, 2004

32

An Excursion from Normal to Inverted CC Bonds Shows a Clear Demarcation between Covalent and Charge-Shift CC Bonds

Sason Shaik, Zhenhua Chen, Wei Wu, Amnon Stanger, David Danovich, Philippe C. Hiberty

Journal:

Year:

2009

Language:

english

File:

PDF, 452 KB

english, 2009

33

The “Rebound Controversy”: An Overview and Theoretical Modeling of the Rebound Step in C−H Hydroxylation by Cytochrome P450

Sason Shaik, Shimrit Cohen, Samuël P. de Visser, Pankaz K. Sharma, Devesh Kumar, Sebastian Kozuch, François Ogliaro, David Danovich

Journal:

European Journal of Inorganic Chemistry

Year:

2004

Language:

english

File:

PDF, 441 KB

english, 2004

34

Two-State Reactivity in Organometallic Gas-Phase Ion Chemistry

Sason Shaik, David Danovich, Andreas Fiedler, Detlef Schröder, Helmut Schwarz

Journal:

Helvetica Chimica Acta

Year:

1995

Language:

english

File:

PDF, 910 KB

english, 1995

35

The ICN-INC system: experiment and quantum chemical calculations: Chem. Phys. Letters 225 (1994) 391

U. Samuni, S. Kahana, R. Fraenkel, Y. Haas, D. Danovich, S. Shaik

Journal:

Chemical Physics Letters

Year:

1994

File:

PDF, 37 KB

1994

36

Ab initio calculations for small iodo clusters. Good performance of relativistic effective core potentials

David Danovich, Jan Hrušák, Sason Shaik

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 598 KB

english, 1995

37

The ICN-INC system: experiment and quantum chemical calculations

U. Samuni, S. Kahana, R. Fraenkel, Y. Haas, D. Danovich, S. Shaik

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 687 KB

english, 1994

38

Wear protection of a pressure-loaded titanium alloy by lubricated electroless nickel coatings: Wear, Vol 14, No 1 (1969) pp 15–32

W. Beck, J.F. Danovich

Journal:

Year:

1970

Language:

english

File:

PDF, 149 KB

english, 1970

39

Wear protection of a pressure-loaded titanium alloy by lubricated electroless nickel coatings

W. Beck, J.F. Danovich

Journal:

Year:

1969

Language:

english

File:

PDF, 1.69 MB

english, 1969

40

Multifunctional Pharmacotherapy: What Can We Learn from Study of Selective Serotonin Reuptake Inhibitor Augmentation of Antipsychotics in Negative-Symptom Schizophrenia?

Henry Silver, Yael Chertkow, Orly Weinreb, Lena Danovich, Moussa Youdim

Journal:

Neurotherapeutics

Year:

2009

Language:

english

File:

PDF, 85 KB

english, 2009

41

Electron-transfer reactivity in the activation of organic fluorides by bare metal monocations

Jeremy N. Harvey, Detlef Schröder, Wolfram Koch, David Danovich, Sason Shaik, Helmut Schwarz

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 472 KB

english, 1997

42

Electron-transfer reactivity in the activation of organic fluorides by bare metal monocations

Jeremy N. Harvey, Detlef Schröder, Wolfram Koch, David Danovich, Sason Shaik, Helmut Schwarz

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 489 KB

english, 1997

43

Theoretical study of the radiationless decay channels of triplet state norbornene

Stefan Grimme, Markus Woeller, Sigrid D. Peyerimhoff, David Danovich, Sason Shaik

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 153 KB

english, 1998

44

17O, 31P and 183W NMR spectra of paramagnetic complexes with the heteropolytungstate anion [Ln(PW11O39)2]11− and their co

Martin A. Fedotov, Boris Z. Pertsikov, David K. Danovich

Journal:

Year:

1990

Language:

english

File:

PDF, 685 KB

english, 1990

45

Inner-sphere electron transfer in metal-cation chemistry

Detlef Schröder, Claudia Trage, Helmut Schwarz, David Danovich, Sason Shaik

Journal:

International Journal of Mass Spectrometry

Year:

2000

Language:

english

File:

PDF, 249 KB

english, 2000

46

Embryonal antigens in maize caryopses: The temporal order of antigen accumulation during embryogenesis

E. E. Khavkin, S. I. Misharin, V. N. Ivanov, K. N. Danovich

Journal:

Year:

1977

Language:

english

File:

PDF, 1.30 MB

english, 1977

47

Rotational isomerism in 1-vinylpyrazoles and 1-vinylimidazoles from1H and13C NMR data and quantum-chemical calculations

A. V. Afonin, D. K. Danovich, V. K. Voronov, L. A. Es'kova, L. V. Baikalova, E. S. Domina

Journal:

Chemistry of Heterocyclic Compounds

Year:

1990

Language:

english

File:

PDF, 376 KB

english, 1990

48

Subroutine package for calculating molecular structures by the paramagnetic-additive method

D. K. Danovich, V. G. Zakzhevskii, V. K. Voronov

Journal:

Journal of Structural Chemistry

Year:

1986

Language:

english

File:

PDF, 182 KB

english, 1986

49

Green's function method for photoelectron spectroscopy calculations based on MNDO and AM1 semiempirical approximations

V. G. Zakzhevskii, D. K. Danovich

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 375 KB

english, 1989

50

Quantum-chemical calculation of the geometry of 1-vinylazoles

D. K. Danovich, V. K. Voronov, V. G. Zakzhevskii, E. S. Domnina

Journal:

Journal of Structural Chemistry

Year:

1986

Language:

english

File:

PDF, 143 KB

english, 1986