Philippe C. Hiberty: search on Z-Library

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1

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

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

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

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

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

6

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

7

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

8

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

9

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

10

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

11

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

12

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

13

In Defense of the Hybrid Atomic Orbitals

Hiberty, Philippe C., Volatron, François, Shaik, Sason

Journal:

Journal of Chemical Education

Year:

2012

Language:

english

File:

PDF, 186 KB

english, 2012

14

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

15

Vibronic coupling: Cage-breaking cascade

Hiberty, Philippe C.

Journal:

Nature Chemistry

Year:

2011

Language:

english

File:

PDF, 136 KB

english, 2011

16

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

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

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

19

Application of the Valence Bond Mixing Configuration Diagrams to Hypervalency in Trihalide Anions: A Challenge to the Rundle−Pimentel Model †

Braïda, Benoît, Hiberty, Philippe C.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 241 KB

english, 2008

20

The distortive tendencies of ? electronic systems, their relationship to isoelectronic ? bonded analogs, and observables: A description free of the classical paradoxesPresented at the ESF Exploratory Workshop: New Perspectives on Aromaticity, Exeter, UK, July 5?9, 2003.

Hiberty, Philippe C., Shaik, Sason

Journal:

Physical Chemistry Chemical Physics

Year:

2004

Language:

english

File:

PDF, 322 KB

english, 2004

21

Symmetry-breaking and near-symmetry-breaking in three-electron-bonded radical cations

Braı̈da, Benoı̂t, Lauvergnat, David, Hiberty, Philippe C.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 505 KB

english, 2001

22

Orbitals and Interpretation of Photoelectron Spectroscopy Experiments and (e,2e) Ionization Experiments

Truhlar, Donald G., Hiberty, Philippe C., Shaik, Sason, Gordon, Mark S., Danovich, David

Journal:

Angewandte Chemie

Year:

2019

Language:

english

File:

PDF, 1.02 MB

english, 2019

23

Interconverting cyclopropylcarbinyl cations

Hehre, Warren J., Hiberty, Philippe C.

Journal:

Journal of the American Chemical Society

Year:

1974

Language:

english

File:

PDF, 779 KB

english, 1974

24

Quantitative valence-bond computations of curve crossing diagrams for a gas-phase SN2 reaction: F?+ CH3F ? FCH3+ F?

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

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1992

Language:

english

File:

PDF, 1.04 MB

english, 1992

25

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

26

A Systematic Failing of Current Density Functionals: Overestimation of Two-Center Three-Electron Bonding Energies

Braïda, Benoît, Hiberty, Philippe C., Savin, Andreas

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 47 KB

english, 1998

27

On the Nature of Blueshifting Hydrogen Bonds

Mo, Yirong, Wang, Changwei, Guan, Liangyu, Braïda, Benoît, Hiberty, Philippe C., Wu, Wei

Journal:

Chemistry - A European Journal

Year:

2014

Language:

english

File:

PDF, 664 KB

english, 2014

28

Theoretical study of the ground- and excited-state reactivity of sodium and hydrogen fluoride. Comparison of SCF-CI and VB treatments

Sevin, Alain, Hiberty, Philippe C., Lefour, Jean Michel

Journal:

Journal of the American Chemical Society

Year:

1987

Language:

english

File:

PDF, 1008 KB

english, 1987

29

Valence Bond Calculations of Hydrogen Transfer Reactions: A General Predictive Pattern Derived from Theory

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

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 117 KB

english, 2004

30

Mechanism of ozonolysis. Ab initio study of the primary ozonide and its cleavage to the Criegee intermediate

Hiberty, Philippe C.

Journal:

Journal of the American Chemical Society

Year:

1976

Language:

english

File:

PDF, 610 KB

english, 1976

31

Organic transition states. 6. Thermal decomposition of 1-pyrazolines

Hiberty, Philippe C., Jean, Yves

Journal:

Journal of the American Chemical Society

Year:

1979

Language:

english

File:

PDF, 776 KB

english, 1979

32

Stable carbocations. 200. 1-Methylcyclopropylcarbinyl cations

Olah, George A., Spear, Robert J., Hiberty, Philippe C., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Year:

1976

Language:

english

File:

PDF, 725 KB

english, 1976

33

Role of .pi.-Electron Delocalization in the Enhanced Acidity of Carboxylic Acids and Enols Relative to Alcohols

Hiberty, Philippe C., Byrman, Carsten P.

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 715 KB

english, 1995

34

Diatomic Halogen Anions and Related Three-Electron-Bonded Anion Radicals: Very Contrasted Performances of Møller−Plesset Methods in Symmetric vs Dissymmetric Cases

Braïda, Benoît, Hiberty, Philippe C.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 127 KB

english, 2000

35

The .pi.-distortive propensities in benzene and the allyl radical. A reply to a criticism

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

Journal:

Journal of Organic Chemistry

Year:

1986

Language:

english

File:

PDF, 337 KB

english, 1986

36

Testing the Validity of the Conventional Resonance Model for Protonated Carbonyl, Imine and Thiocarbonyl Compounds. An Ab Initio Valence Bond Study

Braïda, Benoît, Bundhoo, Dilshaad, Engels, Bernd, Hiberty, Philippe C.

Journal:

Organic Letters

Year:

2008

Language:

english

File:

PDF, 146 KB

english, 2008

37

The Quadruple Bonding in C 2 Reproduces the Properties of the Molecule

Shaik, Sason, Danovich, David, Braida, Benoit, Hiberty, Philippe C.

Journal:

Chemistry - A European Journal

Year:

2016

Language:

english

File:

PDF, 1.94 MB

english, 2016

38

Ozone and Other 1,3-Dipoles: Toward a Quantitative Measure of Diradical Character

Braïda, Benoît, Galembeck, Sergio Emanuel, Hiberty, Philippe Charles

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 714 KB

english, 2017

39

Corrigendum: Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments

Truhlar, Donald G., Hiberty, Philippe C., Shaik, Sason, Gordon, Mark S., Danovich, David

Journal:

Angewandte Chemie International Edition

Year:

2020

File:

PDF, 268 KB

2020

40

Thinking and Computing Valence Bond in Organic Chemistry

Philippe C. Hiberty

Journal:

Year:

2003

File:

PDF, 49 KB

2003

41

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

42

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

43

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

44

Role of Conjugation in the Stabilities and Rotational Barriers of Formamide and Thioformamide. An ab Initio Valence-Bond Study

Lauvergnat, David, Hiberty, Philippe C.

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 182 KB

english, 1997

45

When does electronic delocalization become a driving force of molecular shape and stability? 1. The aromatic sextet

Shaik, Sason S., Hiberty, Philippe C.

Journal:

Journal of the American Chemical Society

Year:

1985

Language:

english

File:

PDF, 976 KB

english, 1985

46

Alkoxyl radical decomposition explained by a valence-bond model

Me′reau, Raphaël, Rayez, Marie-The′rèse, Rayez, Jean-Claude, Hiberty, Philippe C.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 159 KB

english, 2001

47

Response to the Comment by J. Grunenberg on “The Nature of the Fourth Bond in the Ground State of C 2 : The Quadruple Bond Conundrum′′

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

Journal:

Chemistry - A European Journal

Year:

2015

Language:

english

File:

PDF, 381 KB

english, 2015

48

ChemInform Abstract: THEORETICAL APPROACHES TO REARRANGEMENTS IN CARBOCATIONS PART 1, THE HALOETHYL SYSTEM

HEHRE, WARREN J., HIBERTY, PHILIPPE C.

Journal:

Chemischer Informationsdienst

Year:

1974

File:

PDF, 94 KB

1974

49

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

50

The Nature of the Idealized Triple Bonds Between Principal Elements and the σ Origins of Trans-Bent Geometries—A Valence Bond Study

Ploshnik, Elina, Danovich, David, Hiberty, Philippe C., Shaik, Sason

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 2.56 MB

english, 2011

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