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1

A Conversation on VB vs MO Theory: A Never-Ending Rivalry?

Hoffmann, Roald, Shaik, Sason, Hiberty, Philippe C.

Journal:

Accounts of Chemical Research

Year:

2003

Language:

english

File:

PDF, 54 KB

english, 2003

2

σ−π Energy Separation in Modern Electronic Theory for Ground States of Conjugated Systems †

Jug, Karl, Hiberty, Philippe C., Shaik, Sason

Journal:

Chemical Reviews

Year:

2001

Language:

english

File:

PDF, 323 KB

english, 2001

3

Breathing-orbital valence bond method – a modern valence bond method that includes dynamic correlation

Philippe C. Hiberty, Sason Shaik

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2002

Language:

english

File:

PDF, 264 KB

english, 2002

4

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

5

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

6

When does electronic delocalization become a driving force of chemical bonding?

Shaik, Sason S., Hiberty, Philippe C., Ohanessian, Gilles, Lefour, Jean Michel

Journal:

Journal of Physical Chemistry

Year:

1988

Language:

english

File:

PDF, 1.22 MB

english, 1988

7

The Physical Origin of Saytzeff’s Rule

Benoit Braida, Vinca Prana, Philippe C. Hiberty

Journal:

Angewandte Chemie International Edition

Year:

2009

Language:

english

File:

PDF, 361 KB

english, 2009

8

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

9

ChemInform Abstract: σ—π Energy Separation in Modern Electronic Theory for Ground States of Conjugated Systems

Karl Jug, Philippe Hiberty, Sason Shaik

Journal:

Year:

2001

File:

PDF, 27 KB

2001

10

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

11

Vibronic coupling: Cage-breaking cascade

Hiberty, Philippe C.

Journal:

Nature Chemistry

Year:

2011

Language:

english

File:

PDF, 136 KB

english, 2011

12

Covalent, ionic and resonating single bonds

Gjergji Sini, Philippe Maitre, Philippe C. Hiberty, Sason S. Shaik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1991

Language:

english

File:

PDF, 1.79 MB

english, 1991

13

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

14

The Valence Bond Workshop in Paris: The Phoenix Rises from the Ashes or, Has a Love Story with MO-Based Theories Begun?

Braïda, Benoît, Derat, Etienne, Humbel, Stéphane, Hiberty, Philippe C., Shaik, Sason

Journal:

Year:

2012

Language:

english

File:

PDF, 123 KB

english, 2012

15

Is the delocalized .pi. system of benzene a stable electronic system?

Hiberty, Philippe C., Shaik, Sason S., Lefour, Jean Michel, Ohanessian, Gilles

Journal:

Journal of Organic Chemistry

Year:

1985

Language:

english

File:

PDF, 419 KB

english, 1985

16

The essential role of charge-shift bonding in hypervalent prototype XeF2

Braïda, Benoît, Hiberty, Philippe C.

Journal:

Nature Chemistry

Year:

2013

Language:

english

File:

PDF, 462 KB

english, 2013

17

Classical Valence Bond Approach by Modern Methods

Wu, Wei, Su, Peifeng, Shaik, Sason, Hiberty, Philippe C.

Journal:

Chemical Reviews

Year:

2011

Language:

english

File:

PDF, 5.04 MB

english, 2011

18

Chirality forces

Salem, Lionel, Chapuisat, Xavier, Segal, Gerald, Hiberty, Philippe C., Minot, Christian, Leforestier, Claude, Sautet, Philippe

Journal:

Journal of the American Chemical Society

Year:

1987

Language:

english

File:

PDF, 928 KB

english, 1987

19

Valence Bond Analysis of the Lone Pair Bond Weakening Effect for the X−H Bonds in the Series XH n = CH 4 , NH 3 , OH 2 , FH

Lauvergnat, David, Maître, Philippe, Hiberty, Philippe C., Volatron, François

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 362 KB

english, 1996

20

A Chemist's Guide to Valence Bond Theory || A Brief Story of Valence Bond Theory, Its Rivalry with Molecular Orbital Theory, Its Demise, and Resurgence

Shaik, Sason, Hiberty, Philippe C.

Year:

2007

Language:

english

File:

PDF, 211 KB

english, 2007

21

π Bonding in Second and Third Row Molecules: Testing the Strength of Linus's Blanket

John Morrison Galbraith, Esti Blank, Sason Shaik, Philippe C. Hiberty

Journal:

Chemistry - A European Journal

Year:

2000

Language:

english

File:

PDF, 280 KB

english, 2000

22

Plötzliche Polarisation im zwitterionischen angeregten Zustand Z1 organischer Zwischenstufen — Photochemische Auswirkungen

Dr. Vlasta Bonačić-Koutecký, Dr. Peter Bruckmann, Dr. Philippe Hiberty, Prof. Dr. Jaroslav Koutecký, Claude Leforestier, Prof. Dr. Lionel Salem

Journal:

Angewandte Chemie

Year:

1975

Language:

german

File:

PDF, 349 KB

german, 1975

23

The Inverted Bond in [1.1.1]Propellane is a Charge-Shift Bond

Wei Wu, Junjing Gu, Jinshuai Song, Sason Shaik, Philippe C. Hiberty

Journal:

Angewandte Chemie

Year:

2009

Language:

english

File:

PDF, 360 KB

english, 2009

24

The Physical Origin of Saytzeff’s Rule

Benoit Braida, Vinca Prana, Philippe C. Hiberty

Journal:

Angewandte Chemie

Year:

2009

Language:

english

File:

PDF, 361 KB

english, 2009

25

Sudden Polarization in the Zwitterionic Z1 Excited States of Organic Intermediates. Photochemical Implications

Dr. Vlasta Bonačić-Koutecký, Dr. Peter Bruckmann, Dr. Philippe Hiberty, Prof. Jaroslav Koutecký, Mr. Claude Leforestier, Prof. Lionel Salem

Journal:

Angewandte Chemie International Edition

Year:

1975

Language:

english

File:

PDF, 202 KB

english, 1975

26

The Inverted Bond in [1.1.1]Propellane is a Charge-Shift Bond

Wei Wu, Junjing Gu, Jinshuai Song, Sason Shaik, Philippe C. Hiberty

Journal:

Angewandte Chemie International Edition

Year:

2009

Language:

english

File:

PDF, 360 KB

english, 2009

27

Étude Theorique Ab-Initio de la Décomposition Thermique des 1-Pyrazolines

Y. Jean, P. C. Hiberty

Journal:

Bulletin des Sociétés Chimiques Belges

Year:

1976

File:

PDF, 192 KB

1976

28

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

29

Identity SN2 Reactions X−+CH3X→XCH3+X− (X=F, Cl, Br, and I) in Vacuum and in Aqueous Solution: A Valence Bond Study

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

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 136 KB

english, 2006

30

Classical and Distonic Radical Cations: A Valence Bond Approach

Guy Bouchoux, Florence Berruyer, Philippe C. Hiberty, Wei Wu

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 415 KB

english, 2007

31

Topology of Electron Charge Density for Chemical Bonds from Valence Bond Theory: A Probe of Bonding Types

Lixian Zhang, Fuming Ying, Wei Wu, Philippe C. Hiberty, Sason Shaik

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 322 KB

english, 2009

32

ChemInform Abstract: A Different Story of Benzene

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

Journal:

Year:

1998

File:

PDF, 24 KB

1998

33

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

34

Thinking and Computing Valence Bond in Organic Chemistry

Philippe C. Hiberty

Journal:

Year:

2003

File:

PDF, 49 KB

2003

35

The Distortive Tendencies of π Electronic Systems, Their Relationship to Isoelectronic σ Bonded Analogues, and Observables: A Description Free of the Classical Paradoxes

Philippe C. Hiberty, Sason Shaik

Journal:

Year:

2004

File:

PDF, 58 KB

2004

36

What Makes the Trifluoride Anion F3- So Special? A Breathing-Orbital Valence Bond ab initio Study.

Benoit Braida, Philippe C. Hiberty

Journal:

Year:

2005

File:

PDF, 59 KB

2005

37

The Menshutkin Reaction in the Gas Phase and in Aqueous Solution: A Valence Bond Study

Peifeng Su, Fuming Ying, Wei Wu, Philippe C. Hiberty, Sason Shaik

Journal:

Year:

2007

Language:

english

File:

PDF, 337 KB

english, 2007

38

A Valence Bond Study of the Low-Lying States of the NF Molecule

Peifeng Su, Wei Wu, Sason Shaik, Philippe C. Hiberty

Journal:

Year:

2008

Language:

english

File:

PDF, 356 KB

english, 2008

39

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

40

Can Aromaticity Coexist with Diradical Character? An Ab Initio Valence Bond Study of S2N2 and Related 6π-Electron Four-Membered Rings E2N2 and E42+ (E=S, Se, Te)

Dr. Benoît Braïda, Aurélien Lo, Prof. Philippe C. Hiberty

Journal:

Year:

2012

Language:

english

File:

PDF, 293 KB

english, 2012

41

Ab initio conformational study of the P6 potential surface: Evidence for a low-lying one-electron-bonded isomer

Philippe C. Hiberty, François Volatron

Journal:

Heteroatom Chemistry

Year:

2007

Language:

english

File:

PDF, 419 KB

english, 2007

42

Myth and Reality in the Attitude toward Valence-Bond (VB) Theory: Are Its ‘Failures’ Real?

Sason Shaik, Philippe C. Hiberty

Journal:

Helvetica Chimica Acta

Year:

2003

Language:

english

File:

PDF, 189 KB

english, 2003

43

A survey of recent developments in ab initio valence bond theory

Philippe C. Hiberty, Sason Shaik

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 194 KB

english, 2007

44

A valence bond study of the dioxygen molecule

Peifeng Su, Lingchun Song, Wei Wu, Philippe C. Hiberty, Sason Shaik

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 606 KB

english, 2007

45

Extent of the sudden polarization effect for long polyenes: an analytical study

P. Karafiloglou, P.C. Hiberty

Journal:

Chemical Physics Letters

Year:

1980

Language:

english

File:

PDF, 612 KB

english, 1980

46

Orthogonalized atomic orbitals and the interpretation of valence bond wavefunctions

Gilles Ohanessian, Philippe C. Hiberty

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 314 KB

english, 1987

47

Compact and accurate valence bond functions with different orbitals for different configurations: application to the two-configuration description of F2

P.C. Hiberty, J.P. Flament, E. Noizet

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 653 KB

english, 1992

48

HO∴OH−: a model for stable three-electron bonded peroxide radical anions

Stéphane Humbel, Isabelle Demachy, Philippe C. Hiberty

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 681 KB

english, 1995

49

A quantum-mechanical investigation of collinear models for collision-induced dissociation

Guy Bergeron, Philippe C. Hiberty, Claude Leforestier

Journal:

Chemical Physics

Year:

1985

Language:

english

File:

PDF, 1.47 MB

english, 1985

50

Is the decomposition of the primary ozonide a concerted or stepwise process?

P.C. Hiberty, J.P. Devidal

Journal:

Year:

1979

Language:

english

File:

PDF, 252 KB

english, 1979

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