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Group Theory Applied to Chemistry

Ceulemans, Arnout Jozef

Second edition, 2024

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A comparison of the chemical bonding and reactivity of Si8H8O12 and Ge8H8O12: A theoretical study

The Journal of chemical physics, 2021-04, Vol.154 (16), p.164305-164305

2021

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Ansatz for the Jahn–Teller triplet instability

The Journal of chemical physics, 2020-11, Vol.153 (17), p.174110-174110

2020

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Particular Symmetries: Group Theory of the Periodic System

Substantia (Firenze), 2021, Vol.4 (1)

2021

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A Unified Perspective on the Hydrogen Atom Transfer and Proton-Coupled Electron Transfer Mechanisms in Terms of Topographic Features of the Ground and Excited Potential Energy Surfaces As Exemplified by the Reaction between Phenol and Radicals

Journal of the American Chemical Society, 2008-06, Vol.130 (22), p.7000-7010

2008

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Xylonucleic acid: synthesis, structure, and orthogonal pairing properties

Nucleic acids research, 2015-09, Vol.43 (15), p.7189-7200

2015

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Directed Graphs and Induced Magnetic Multipoles in Polycyclic Hydrocarbons

Bulletin of the Chemical Society of Japan, 2015-11, Vol.88 (11), p.1553-1560

2015

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A new Euler's formula for DNA polyhedra

PloS one, 2011-10, Vol.6 (10), p.e26308-e26308

2011

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Improved Replica Exchange Method for Native-State Protein Sampling

Journal of chemical theory and computation, 2011-01, Vol.7 (1), p.231-237

2011

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Pseudo-Jahn–Teller origin of icosahedral instability in boron buckyball, B80

Chemical physics letters, 2012-08, Vol.543, p.111-116

2012

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Quantum chemistry study of symmetric methyne substitution patterns in the boron buckyball

Chemical physics letters, 2009-11, Vol.483 (1), p.101-106

2009

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Structure-Based Site of Metabolism Prediction for Cytochrome P450 2D6

Journal of medicinal chemistry, 2011-09, Vol.54 (17), p.6098-6105

2011

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Symmetry-induced formation of antivortices in mesoscopic superconductors

Nature (London), 2000-12, Vol.408 (6814), p.833-835

2000

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Explanation of the sign inversion in the magnetic circular dichroism of Möbius [28] hexaphyrin

Chemical physics letters, 2013-10, Vol.586, p.148-152

2013

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Fourteen-Electron Ring Model and the Anomalous Magnetic Circular Dichroism of meso-Triarylsubporphyrins

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-04, Vol.116 (15), p.3960-3967

2012

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Rationalization of Supramolecular Chirality in a Bisporphyrin System

Angewandte Chemie International Edition, 2004-10, Vol.43 (41), p.5481-5485

2004

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The Jahn–Teller Effect in Chemistry

Bulletin of the Chemical Society of Japan, 2007-07, Vol.80 (7), p.1229-1240

2007

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Room-temperature magnetic anisotropy of lanthanide complexes: A model study for various coordination polyhedra

The Journal of chemical physics, 2002-03, Vol.116 (11), p.4673-4685

2002

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Singlet−Triplet Energy Gaps of Gas-Phase RNA and DNA Bases. A Quantum Chemical Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-08, Vol.108 (31), p.6554-6561

2004

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A concerted mechanism of proton transfer in green fluorescent protein. A theoretical study

Chemical physics letters, 2005-03, Vol.404 (4), p.250-256

2005

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Recognition of Chiral Catechols Using Oxo−Titanium Phthalocyanine

Journal of the American Chemical Society, 2004-04, Vol.126 (14), p.4596-4604

2004

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Physisorption of adenine DNA nucleosides on zigzag and armchair single-walled carbon nanotubes: A first-principles study

Physical review. B, Condensed matter and materials physics, 2009-05, Vol.79 (19), Article 195419

2009

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Disk Aromaticity of the Planar and Fluxional Anionic Boron Clusters B20−/2

Chemistry : a European journal, 2012-04, Vol.18 (15), p.4510-4512

2012

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The boron buckyball has an unexpected T h symmetry

Chemical physics letters, 2008-01, Vol.450 (4), p.175-177

2008

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Formation of silicon triazacorrole and tetrabenzotriazacorrole by the ring contraction of the corresponding tetraazaporphyrin ligands

Tetrahedron letters, 2004-02, Vol.45 (8), p.1755-1758

2004

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Group Theory Applied to Chemistry

A comparison of the chemical bonding and reactivity of Si8H8O12 and Ge8H8O12: A theoretical study

Ansatz for the Jahn–Teller triplet instability

Particular Symmetries: Group Theory of the Periodic System

A Unified Perspective on the Hydrogen Atom Transfer and Proton-Coupled Electron Transfer Mechanisms in Terms of Topographic Features of the Ground and Excited Potential Energy Surfaces As Exemplified by the Reaction between Phenol and Radicals

Xylonucleic acid: synthesis, structure, and orthogonal pairing properties

Directed Graphs and Induced Magnetic Multipoles in Polycyclic Hydrocarbons

A new Euler's formula for DNA polyhedra

Improved Replica Exchange Method for Native-State Protein Sampling

Pseudo-Jahn–Teller origin of icosahedral instability in boron buckyball, B80

Quantum chemistry study of symmetric methyne substitution patterns in the boron buckyball

Structure-Based Site of Metabolism Prediction for Cytochrome P450 2D6

Symmetry-induced formation of antivortices in mesoscopic superconductors

Explanation of the sign inversion in the magnetic circular dichroism of Möbius [28] hexaphyrin

Fourteen-Electron Ring Model and the Anomalous Magnetic Circular Dichroism of meso-Triarylsubporphyrins

Rationalization of Supramolecular Chirality in a Bisporphyrin System

The Jahn–Teller Effect in Chemistry

Room-temperature magnetic anisotropy of lanthanide complexes: A model study for various coordination polyhedra

Singlet−Triplet Energy Gaps of Gas-Phase RNA and DNA Bases. A Quantum Chemical Study

A concerted mechanism of proton transfer in green fluorescent protein. A theoretical study

Recognition of Chiral Catechols Using Oxo−Titanium Phthalocyanine

Physisorption of adenine DNA nucleosides on zigzag and armchair single-walled carbon nanotubes: A first-principles study

Disk Aromaticity of the Planar and Fluxional Anionic Boron Clusters B20−/2

The boron buckyball has an unexpected T h symmetry

Formation of silicon triazacorrole and tetrabenzotriazacorrole by the ring contraction of the corresponding tetraazaporphyrin ligands

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