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Topological analysis of the metal-metal bond: A tutorial review

Coordination chemistry reviews, 2017-08, Vol.345, p.150-181

2017

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The synaptic order: a key concept to understand multicenter bonding

Journal of molecular structure, 2002-09, Vol.614 (1), p.3-10

Silvi, Bernard

2002

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Theoretical Evaluation of Electron Delocalization in Aromatic Molecules by Means of Atoms in Molecules (AIM) and Electron Localization Function (ELF) Topological Approaches

Chemical reviews, 2005-10, Vol.105 (10), p.3911-3947

2005

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Understanding Reaction Mechanisms in Organic Chemistry from Catastrophe Theory Applied to the Electron Localization Function Topology

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-08, Vol.112 (31), p.7128-7136

2008

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Activation of C-H and B-H bonds through agostic bonding: an ELF/QTAIM insight

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (14), p.9258-9281

2015

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New Findings on the Diels−Alder Reactions. An Analysis Based on the Bonding Evolution Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-12, Vol.110 (51), p.13939-13947

2006

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Six questions on topology in theoretical chemistry

Computational and theoretical chemistry, 2015-02, Vol.1053, p.2-16

2015

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About Lewis’s heritage: chemical interpretations and quantum chemistry

Theoretical chemistry accounts, 2017, Vol.136 (9), p.1-6, Article 106

Silvi, Bernard

2017

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Does the topological approach characterize the hydrogen bond?

Theoretical chemistry accounts, 2000-05, Vol.104 (1), p.13-21

2000

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Pressure effect on electron localization in solid lithium

Structural chemistry, 2017-10, Vol.28 (5), p.1389-1397

Silvi, Bernard

2017

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The Joint Use of Catastrophe Theory and Electron Localization Function to Characterize Molecular Mechanisms. A Density Functional Study of the Diels−Alder Reaction between Ethylene and 1,3-Butadiene

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-08, Vol.107 (31), p.6014-6024

2003

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Topological Analysis of the Electron Localization Function (ELF) Applied to the Electrophilic Aromatic Substitution

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-02, Vol.104 (4), p.852-858

2000

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An electron localization function and catastrophe theory analysis on the molecular mechanism of gas-phase identity SN2 reactions

Theoretical chemistry accounts, 2008-07, Vol.120 (4-6), p.341-349

2008

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Structure and Stability of M−CO, M = First-Transition-Row Metal: An Application of Density Functional Theory and Topological Approaches

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-06, Vol.107 (22), p.4506-4514

2003

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How topological partitions of the electron distributions reveal delocalization

Physical chemistry chemical physics : PCCP, 2004-01, Vol.6 (2), p.256-260

SILVI, Bernard

2004

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The Spin-Pair Compositions as Local Indicators of the Nature of the Bonding

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-05, Vol.107 (17), p.3081-3085

Silvi, Bernard

2003

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Applications of Topological Methods in Molecular Chemistry

1, 2016

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Electron group localization in atoms and molecules

The Journal of chemical physics, 2022-06, Vol.156 (24), p.244305-244305

2022

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Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation

Chemical communications (Cambridge, England), 2016-01, Vol.52 (53), p.8183-8195

2016

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Isomerism in secondary bonded complexes: Do structural rules apply?

International journal of quantum chemistry, 2022-04, Vol.122 (8), p.n/a

2022

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Topological analysis of the metal-support interaction: the case of Pd atoms on oxide surfaces

Chemical physics letters, 2004-04, Vol.388 (1), p.132-138

2004

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The Mysticism of Pericyclic Reactions: A Contemporary Rationalisation of Organic Reactivity Based on Electron Density Analysis

European journal of organic chemistry, 2018-03, Vol.2018 (9), p.1107-1120

2018

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Electron localization function at the correlated level

The Journal of chemical physics, 2006-07, Vol.125 (2), p.024301-024301-9

2006

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Electron Localization Function at the Correlated Level: A Natural Orbital Formulation

Journal of chemical theory and computation, 2010-09, Vol.6 (9), p.2736-2742

2010

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Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (43), p.2931-2946

2017

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Topological analysis of the metal-metal bond: A tutorial review

The synaptic order: a key concept to understand multicenter bonding

Theoretical Evaluation of Electron Delocalization in Aromatic Molecules by Means of Atoms in Molecules (AIM) and Electron Localization Function (ELF) Topological Approaches

Understanding Reaction Mechanisms in Organic Chemistry from Catastrophe Theory Applied to the Electron Localization Function Topology

Activation of C-H and B-H bonds through agostic bonding: an ELF/QTAIM insight

New Findings on the Diels−Alder Reactions. An Analysis Based on the Bonding Evolution Theory

Six questions on topology in theoretical chemistry

About Lewis’s heritage: chemical interpretations and quantum chemistry

Does the topological approach characterize the hydrogen bond?

Pressure effect on electron localization in solid lithium

The Joint Use of Catastrophe Theory and Electron Localization Function to Characterize Molecular Mechanisms. A Density Functional Study of the Diels−Alder Reaction between Ethylene and 1,3-Butadiene

Topological Analysis of the Electron Localization Function (ELF) Applied to the Electrophilic Aromatic Substitution

An electron localization function and catastrophe theory analysis on the molecular mechanism of gas-phase identity SN2 reactions

Structure and Stability of M−CO, M = First-Transition-Row Metal: An Application of Density Functional Theory and Topological Approaches

How topological partitions of the electron distributions reveal delocalization

The Spin-Pair Compositions as Local Indicators of the Nature of the Bonding

Applications of Topological Methods in Molecular Chemistry

Electron group localization in atoms and molecules

Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation

Isomerism in secondary bonded complexes: Do structural rules apply?

Topological analysis of the metal-support interaction: the case of Pd atoms on oxide surfaces

The Mysticism of Pericyclic Reactions: A Contemporary Rationalisation of Organic Reactivity Based on Electron Density Analysis

Electron localization function at the correlated level

Electron Localization Function at the Correlated Level: A Natural Orbital Formulation

Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory

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