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Vibronic spectra of the p-benzoquinone radical anion and cation: a matrix isolation and computational study

Physical chemistry chemical physics : PCCP, 2014-02, Vol.16 (5), p.2011-2019

2014

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Carbocations Generated under Stable Conditions by Ionization of Matrix-Isolated Radicals: The Allyl and Benzyl Cations

Journal of the American Chemical Society, 2013-06, Vol.135 (23), p.8625-8631

2013

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Variations in Rotational Barriers of Allyl and Benzyl Cations, Anions, and Radicals

Journal of organic chemistry, 2016-10, Vol.81 (20), p.9576-9584

2016

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Radical Cations of Phenyl-Substituted Aziridines: What Are the Conditions for Ring Opening?

Chemistry : a European journal, 2005-02, Vol.11 (4), p.1294-1304

2005

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Amide Neighbouring‐Group Effects in Peptides: Phenylalanine as Relay Amino Acid in Long‐Distance Electron Transfer

Chembiochem : a European journal of chemical biology, 2018-05, Vol.19 (9), p.922-926

2018

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Quantum-Chemical Simulation of 1 H NMR Spectra. 2. Comparison of DFT-Based Procedures for Computing Proton–Proton Coupling Constants in Organic Molecules

Journal of organic chemistry, 2011-06, Vol.76 (12), p.4818-4830

2011

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The Primary Steps in Excited-State Hydrogen Transfer: The Phototautomerization of o-Nitrobenzyl Derivatives

Chemistry : a European journal, 2014-06, Vol.20 (26), p.8062-8067

2014

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The Bisketene Radical Cation and Its Formation by Oxidative Ring-Opening of Cyclobutenedione

Journal of organic chemistry, 2013-04, Vol.78 (7), p.2908-2913

2013

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Influence of Connector Groups on the Interactions of Substituents with Carbon-Centered Radicals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-10, Vol.116 (41), p.10203-10208

2012

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Vibronic spectra of the p-benzoquinone radical anion and cation: a matrix isolation and computational studyElectronic supplementary information (ESI) available: Full citation of ref 43. Cartesian coordinates and results of TD-DFT calculations on PBQ, PBQ&z.rad;−, and PBQ&z.rad;+. See DOI: 10.1039/c3cp53960a

2014-01

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Cyclobutadien: der Inbegriff eines antiaromatischen Moleküls?

Angewandte Chemie, 2006-10, Vol.118 (40), p.6768-6771

Bally, Thomas

2006

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Attempts to model neutral solitons in polyacetylene by ab initio and density functional methods. The nature of the spin distribution in polyenyl radicals

Physical chemistry chemical physics : PCCP, 2000-01, Vol.2 (15), p.3363-3371

2000

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Electronic Structure of Hole-Conducting States in Polyprolines

The journal of physical chemistry. B, 2015-06, Vol.119 (22), p.6584-6590

2015

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Quadrannulene: A Nonclassical Fullerene Fragment

Angewandte Chemie International Edition, 2010-01, Vol.49 (2), p.399-402

2010

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Dimer Radical Cations of Indole and Indole-3-carbinol: Localized and Delocalized Radical Cations of Diindolylmethane

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-07, Vol.115 (26), p.7700-7708

2011

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Spectroscopic and Computational Studies on the Rearrangement of Ionized [1.1.1]Propellane and Some of its Valence Isomers: The Key Role of Vibronic Coupling

Journal of the American Chemical Society, 2010-10, Vol.132 (41), p.14649-14660

2010

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Mechanistic Aspects of the Oxidative and Reductive Fragmentation of N-Nitrosoamines: A New Method for Generating Nitrenium Cations, Amide Anions, and Aminyl Radicals

Journal of the American Chemical Society, 2007-03, Vol.129 (11), p.3211-3217

2007

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Spectroscopic Evidence for Through-Space Arene–Sulfur–Arene Bonding Interaction in m‑Terphenyl Thioether Radical Cations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-12, Vol.119 (52), p.12990-12998

2015

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Proline as a charge stabilizing amino acid in peptide radical cations

Journal of physical organic chemistry, 2015-05, Vol.28 (5), p.347-353

2015

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One-Pot Synthesis and AFM Imaging of a Triangular Aramide Macrocycle

Journal of the American Chemical Society, 2014-09, Vol.136 (37), p.12832-12835

2014

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Regioselective Oxidative Ring Opening of Cyclopropyl Silyl Ethers: A Quantum Chemical Study

Chemistry : a European journal, 2010-06, Vol.16 (24), p.7121-7124

2010

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The Dewar Benzene Radical Cation and Its Ring-Opening Reaction

Journal of the American Chemical Society, 2006-06, Vol.128 (24), p.7828-7834

2006

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Experimental and Theoretical Study of 2,6-Difluorophenylnitrene, Its Radical Cation, and Their Rearrangement Products in Argon Matrices

Chemphyschem, 2006-06, Vol.7 (6), p.1268-1275

2006

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Quadrannulene: A Nonclassical Fullerene Fragment

Angewandte Chemie, 2010-01, Vol.122 (2), p.409-412

2010

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Photolysis of ortho-nitrobenzylic derivatives: the importance of the leaving groupThis paper is part of a themed issue on photoremovable protecting groups: development and applications.Electronic supplementary information (ESI) available. See DOI: 10.1039/c1pp05308f

2012-03

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Vibronic spectra of the p-benzoquinone radical anion and cation: a matrix isolation and computational study

Carbocations Generated under Stable Conditions by Ionization of Matrix-Isolated Radicals: The Allyl and Benzyl Cations

Variations in Rotational Barriers of Allyl and Benzyl Cations, Anions, and Radicals

Radical Cations of Phenyl-Substituted Aziridines: What Are the Conditions for Ring Opening?

Amide Neighbouring‐Group Effects in Peptides: Phenylalanine as Relay Amino Acid in Long‐Distance Electron Transfer

Quantum-Chemical Simulation of 1 H NMR Spectra. 2. Comparison of DFT-Based Procedures for Computing Proton–Proton Coupling Constants in Organic Molecules

The Primary Steps in Excited-State Hydrogen Transfer: The Phototautomerization of o-Nitrobenzyl Derivatives

The Bisketene Radical Cation and Its Formation by Oxidative Ring-Opening of Cyclobutenedione

Influence of Connector Groups on the Interactions of Substituents with Carbon-Centered Radicals

Cyclobutadien: der Inbegriff eines antiaromatischen Moleküls?

Attempts to model neutral solitons in polyacetylene by ab initio and density functional methods. The nature of the spin distribution in polyenyl radicals

Electronic Structure of Hole-Conducting States in Polyprolines

Quadrannulene: A Nonclassical Fullerene Fragment

Dimer Radical Cations of Indole and Indole-3-carbinol: Localized and Delocalized Radical Cations of Diindolylmethane

Spectroscopic and Computational Studies on the Rearrangement of Ionized [1.1.1]Propellane and Some of its Valence Isomers: The Key Role of Vibronic Coupling

Mechanistic Aspects of the Oxidative and Reductive Fragmentation of N-Nitrosoamines: A New Method for Generating Nitrenium Cations, Amide Anions, and Aminyl Radicals

Spectroscopic Evidence for Through-Space Arene–Sulfur–Arene Bonding Interaction in m‑Terphenyl Thioether Radical Cations

Proline as a charge stabilizing amino acid in peptide radical cations

One-Pot Synthesis and AFM Imaging of a Triangular Aramide Macrocycle

Regioselective Oxidative Ring Opening of Cyclopropyl Silyl Ethers: A Quantum Chemical Study

The Dewar Benzene Radical Cation and Its Ring-Opening Reaction

Experimental and Theoretical Study of 2,6-Difluorophenylnitrene, Its Radical Cation, and Their Rearrangement Products in Argon Matrices

Quadrannulene: A Nonclassical Fullerene Fragment

Photolysis of ortho-nitrobenzylic derivatives: the importance of the leaving groupThis paper is part of a themed issue on photoremovable protecting groups: development and applications.Electronic supplementary information (ESI) available. See DOI: 10.1039/c1pp05308f

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