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Focal Point Analysis of the Singlet–Triplet Energy Gap of Octacene and Larger Acenes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-08, Vol.115 (33), p.9282-9293

2011

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Theoretical study of molecular vibrations in electron momentum spectroscopy experiments on furan: an analytical versus a molecular dynamical approach

The Journal of chemical physics, 2015-03, Vol.142 (9), p.094308-094308

2015

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Photoelectron and Electron Momentum Spectroscopy of Tetrahydrofuran from a Molecular Dynamical Perspective

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-03, Vol.117 (9), p.1918-1929

2013

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Electron Momentum Spectroscopy of 1‑Butene: A Theoretical Analysis Using Molecular Dynamics and Molecular Quantum Similarity

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-09, Vol.117 (35), p.8388-8398

2013

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Valence One-Electron and Shake-Up Ionization Bands of Polycyclic Aromatic Hydrocarbons. III. Coronene, 1.2,6.7-Dibenzopyrene, 1.12-Benzoperylene, Anthanthrene

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-10, Vol.108 (42), p.9244-9259

Deleuze, Michael S

2004

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Probing Nuclear Dynamics in Momentum Space: A New Interpretation of (e, 2e) Electron Impact Ionization Experiments on Ethanol

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-06, Vol.113 (25), p.7138-7154

2009

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Many-body calculations of molecular electric polarizabilities in asymptotically complete basis sets

Molecular physics, 2011-10, Vol.109 (19), p.2317-2339

2011

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Theoretical Study of the Oxidation Mechanisms of Naphthalene Initiated by Hydroxyl Radicals: The OH-Addition Pathway

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-07, Vol.118 (26), p.4593-4610

2014

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Benchmark Dyson Orbital Study of the Ionization Spectrum and Electron Momentum Distributions of Ethanol in Conformational Equilibrium

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-09, Vol.112 (38), p.9083-9096

2008

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Theoretical Study of the Oxidation Mechanisms of Naphthalene Initiated by Hydroxyl Radicals: The H Abstraction Pathway

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-05, Vol.118 (20), p.3625-3636

2014

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Photoelectron and electron momentum spectroscopy of 1-butene at benchmark theoretical levels

Journal of physics. B, Atomic, molecular, and optical physics, 2011-12, Vol.44 (23), p.235101-1-16

2011

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Theoretical study of the oxidation mechanisms of thiophene initiated by hydroxyl radicals

Journal of molecular modeling, 2015-11, Vol.21 (11), p.301-301, Article 301

2015

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Study of the photoelectron and electron momentum spectra of cyclopentene using benchmark Dyson orbital theories

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (17), p.2374-2389

2008

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Kinetic and mechanistic study on the pyrolysis of 1,3-dihydroisothianaphthene-2,2-dioxide toward benzocyclobutene using RRKM and BET theories

Chemical physics, 2017-02, Vol.483-484, p.12-25

2017

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Reaction mechanisms and kinetics of the elimination processes of 2-chloroethylsilane and derivatives: A DFT study using CTST, RRKM, and BET theories

Chemical physics, 2017-03, Vol.485-486, p.140-148

2017

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Theoretical study on the elimination kinetics in the gas phase of allyl methyl compounds

Monatshefte für Chemie, 2018-08, Vol.149 (8), p.1389-1400

2018

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Theoretical Study of the Fragmentation Pathways of Norbornane in Its Doubly Ionized Ground State

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-10, Vol.111 (42), p.10834-10848

2007

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Nucleation of organic semiconductors on inert substrates

Physical review. B, Condensed matter, 2003-11, Vol.68 (19), Article 195409

2003

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Probing the Shape and Stereochemistry of Molecular Orbitals in Locally Flexible Aromatic Chains: A Penning Ionization Electron Spectroscopy and Green's Function Study of the Electronic Structure of Biphenyl

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-11, Vol.109 (46), p.10535-10546

2005

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Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. II. Azulene, phenanthrene, pyrene, chrysene, triphenylene, and perylene

The Journal of chemical physics, 2002-04, Vol.116 (16), p.7012-7026

Deleuze, Michael S.

2002

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Understanding the kinetics and mechanism of thermal cheletropic elimination of N2 from (2,5-dihydro-1H-pyrrol-1-ium-1-ylidene) amide using RRKM and ELF theories

Research on chemical intermediates, 2017-03, Vol.43 (3), p.1575-1590

2017

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Half-metallicity of graphene nanoribbons and related systems: a new quantum mechanical El Dorado for nanotechnologies … or a hype for materials scientists?

Journal of molecular modeling, 2013-07, Vol.19 (7), p.2699-2714

2013

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Controlling the Frequency of Macrocyclic Ring Rotation in Benzylic Amide [2]Catenanes

Journal of the American Chemical Society, 1998-07, Vol.120 (26), p.6458-6467

1998

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Aromaticity of Giant Polycyclic Aromatic Hydrocarbons with Hollow Sites: Super Ring Currents in Super-Rings

Chemistry : a European journal, 2006-07, Vol.12 (22), p.5757-5769

2006

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Theoretical chemistry in Belgium

Theoretical chemistry accounts, 2013-07, Vol.132 (7), Article 1372

2013

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Focal Point Analysis of the Singlet–Triplet Energy Gap of Octacene and Larger Acenes

Theoretical study of molecular vibrations in electron momentum spectroscopy experiments on furan: an analytical versus a molecular dynamical approach

Photoelectron and Electron Momentum Spectroscopy of Tetrahydrofuran from a Molecular Dynamical Perspective

Electron Momentum Spectroscopy of 1‑Butene: A Theoretical Analysis Using Molecular Dynamics and Molecular Quantum Similarity

Valence One-Electron and Shake-Up Ionization Bands of Polycyclic Aromatic Hydrocarbons. III. Coronene, 1.2,6.7-Dibenzopyrene, 1.12-Benzoperylene, Anthanthrene

Probing Nuclear Dynamics in Momentum Space: A New Interpretation of (e, 2e) Electron Impact Ionization Experiments on Ethanol

Many-body calculations of molecular electric polarizabilities in asymptotically complete basis sets

Theoretical Study of the Oxidation Mechanisms of Naphthalene Initiated by Hydroxyl Radicals: The OH-Addition Pathway

Benchmark Dyson Orbital Study of the Ionization Spectrum and Electron Momentum Distributions of Ethanol in Conformational Equilibrium

Theoretical Study of the Oxidation Mechanisms of Naphthalene Initiated by Hydroxyl Radicals: The H Abstraction Pathway

Photoelectron and electron momentum spectroscopy of 1-butene at benchmark theoretical levels

Theoretical study of the oxidation mechanisms of thiophene initiated by hydroxyl radicals

Study of the photoelectron and electron momentum spectra of cyclopentene using benchmark Dyson orbital theories

Kinetic and mechanistic study on the pyrolysis of 1,3-dihydroisothianaphthene-2,2-dioxide toward benzocyclobutene using RRKM and BET theories

Reaction mechanisms and kinetics of the elimination processes of 2-chloroethylsilane and derivatives: A DFT study using CTST, RRKM, and BET theories

Theoretical study on the elimination kinetics in the gas phase of allyl methyl compounds

Theoretical Study of the Fragmentation Pathways of Norbornane in Its Doubly Ionized Ground State

Nucleation of organic semiconductors on inert substrates

Probing the Shape and Stereochemistry of Molecular Orbitals in Locally Flexible Aromatic Chains: A Penning Ionization Electron Spectroscopy and Green's Function Study of the Electronic Structure of Biphenyl

Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. II. Azulene, phenanthrene, pyrene, chrysene, triphenylene, and perylene

Understanding the kinetics and mechanism of thermal cheletropic elimination of N2 from (2,5-dihydro-1H-pyrrol-1-ium-1-ylidene) amide using RRKM and ELF theories

Half-metallicity of graphene nanoribbons and related systems: a new quantum mechanical El Dorado for nanotechnologies … or a hype for materials scientists?

Controlling the Frequency of Macrocyclic Ring Rotation in Benzylic Amide [2]Catenanes

Aromaticity of Giant Polycyclic Aromatic Hydrocarbons with Hollow Sites: Super Ring Currents in Super-Rings

Theoretical chemistry in Belgium

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