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Multicenter bond indices as a new measure of aromaticity in polycyclic aromatic hydrocarbons

Journal of physical organic chemistry, 2005-08, Vol.18 (8), p.706-718

2005

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Are Multicentre Bond Indices and Related Quantities Reliable Predictors of Excited-State Aromaticity?

Molecules (Basel, Switzerland), 2020-10, Vol.25 (20), p.4791

2020

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Neostigmine for the Treatment of Acute Colonic Pseudo-Obstruction

The New England journal of medicine, 1999-07, Vol.341 (3), p.137-141

1999

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Topological aspects of chemical reactivity. Destiny of electron pairs in allowed and forbidden pericyclic reactions

Journal of physical organic chemistry, 2017-12, Vol.30 (12), p.e3706-n/a

Ponec, Robert

2017

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Structure and bonding in binuclear metal carbonyls. Classical paradigms vs. insights from modern theoretical calculations

Computational and theoretical chemistry, 2015-02, Vol.1053, p.195-213

Ponec, Robert

2015

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Bonding Quandary in the [Cu sub(3)S sub(2)] super(3 +) Core: Insights from the Analysis of Domain Averaged Fermi Holes and the Local Spin

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-03, Vol.117 (9), p.1975-1982-1975-1982

Ponec, Robert

2013

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Bond indices in solids: Extended analytical model

Journal of computational chemistry, 2011-11, Vol.32 (14), p.3114-3121

Ponec, Robert

2011

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Do the Structural Changes Defined by the Electron Density Topology Necessarily Affect the Picture of the Bonding?

Inorganic chemistry, 2009-12, Vol.48 (23), p.11024-11031

2009

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New insights from domain-averaged Fermi holes and bond order analysis into the bonding conundrum in C 2

Molecular physics, 2016-04, Vol.114 (7-8), p.1270-1284

2016

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Verifying the PCP-rule by five-center bond indices

Journal of the Serbian Chemical Society, 2009, Vol.74 (5), p.549-554

2009

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Multicenter Bonding in Organic Chemistry. Geometry-Sensitive 3c-2e Bonding in (C···H···C) Fragments of Organic Cations

Journal of organic chemistry, 2004-04, Vol.69 (9), p.2992-2996

2004

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On the Mechanism of Dihydrogen Activation by Frustrated Lewis Pairs. Insights from the Analysis of Domain Averaged Fermi Holes and Generalized Population Analysis

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-03, Vol.117 (12), p.2656-2663

2013

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Local Aromaticity in Polycyclic Aromatic Hydrocarbons: Electron Delocalization versus Magnetic Indices

Chemistry : a European journal, 2006-11, Vol.12 (34), p.8813-8818

2006

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Investigating István Mayer's “improved” definitions of bond orders and free valence for correlated singlet‐state wave functions

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

2022

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New insights from domain-averaged Fermi holes and bond order analysis into the bonding conundrum in C2

Molecular physics, 2016-04, Vol.114 (7-8), p.1270-1284

2016

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Electronic Structure and Bonding Situation in M2O2 (M = Be, Mg, Ca) Rhombic Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-03, Vol.122 (10), p.2816-2822

2018

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Comparison of DAFH and FALDI-like approaches

Theoretical chemistry accounts, 2020-12, Vol.139 (12), Article 179

2020

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Anatomy of Bond Formation. Domain-Averaged Fermi Holes as a Tool for the Study of the Nature of the Chemical Bonding in Li 2 , Li 4 , and F 2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-11, Vol.111 (44), p.11294-11301

2007

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Domain Averaged Fermi Hole Analysis for Open-Shell Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-05, Vol.113 (19), p.5773-5779

2009

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Domain-averaged Fermi-hole analysis for solids

The Journal of chemical physics, 2012-12, Vol.137 (21), p.214109-214109

2012

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New insights from domain-averaged Fermi holes and bond order analysis into the bonding conundrum in C sub(2)

Molecular physics, 2016-04, Vol.114 (7-8), p.1270-1284

2016

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Reassessing spin-coupled (full generalized valence bond) descriptions of ozone using three-center bond indices

Computational and theoretical chemistry, 2017-09, Vol.1116, p.40-49

2017

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Why is the bond multiplicity in C2 so elusive?

Computational and theoretical chemistry, 2015-02, Vol.1053, p.189-194

2015

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Nature of the chemical bonding in D 3 h [MH 3 M] + cations (M = Be, Mg)

International journal of quantum chemistry, 2020-06, Vol.120 (11)

2020

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Influence of Atoms-in-Molecules Methods on Shared-Electron Distribution Indices and Domain-Averaged Fermi Holes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-08, Vol.114 (33), p.8754-8763

2010

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Multicenter bond indices as a new measure of aromaticity in polycyclic aromatic hydrocarbons

Are Multicentre Bond Indices and Related Quantities Reliable Predictors of Excited-State Aromaticity?

Neostigmine for the Treatment of Acute Colonic Pseudo-Obstruction

Topological aspects of chemical reactivity. Destiny of electron pairs in allowed and forbidden pericyclic reactions

Structure and bonding in binuclear metal carbonyls. Classical paradigms vs. insights from modern theoretical calculations

Bonding Quandary in the [Cu sub(3)S sub(2)] super(3 +) Core: Insights from the Analysis of Domain Averaged Fermi Holes and the Local Spin

Bond indices in solids: Extended analytical model

Do the Structural Changes Defined by the Electron Density Topology Necessarily Affect the Picture of the Bonding?

New insights from domain-averaged Fermi holes and bond order analysis into the bonding conundrum in C 2

Verifying the PCP-rule by five-center bond indices

Multicenter Bonding in Organic Chemistry. Geometry-Sensitive 3c-2e Bonding in (C···H···C) Fragments of Organic Cations

On the Mechanism of Dihydrogen Activation by Frustrated Lewis Pairs. Insights from the Analysis of Domain Averaged Fermi Holes and Generalized Population Analysis

Local Aromaticity in Polycyclic Aromatic Hydrocarbons: Electron Delocalization versus Magnetic Indices

Investigating István Mayer's “improved” definitions of bond orders and free valence for correlated singlet‐state wave functions

New insights from domain-averaged Fermi holes and bond order analysis into the bonding conundrum in C2

Electronic Structure and Bonding Situation in M2O2 (M = Be, Mg, Ca) Rhombic Clusters

Comparison of DAFH and FALDI-like approaches

Anatomy of Bond Formation. Domain-Averaged Fermi Holes as a Tool for the Study of the Nature of the Chemical Bonding in Li 2 , Li 4 , and F 2

Domain Averaged Fermi Hole Analysis for Open-Shell Systems

Domain-averaged Fermi-hole analysis for solids

New insights from domain-averaged Fermi holes and bond order analysis into the bonding conundrum in C sub(2)

Reassessing spin-coupled (full generalized valence bond) descriptions of ozone using three-center bond indices

Why is the bond multiplicity in C2 so elusive?

Nature of the chemical bonding in D 3 h [MH 3 M] + cations (M = Be, Mg)

Influence of Atoms-in-Molecules Methods on Shared-Electron Distribution Indices and Domain-Averaged Fermi Holes

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