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The synergy between qualitative theory, quantitative calculations, and direct experiments in understanding, calculating, and measuring the energy differences between the lowest singlet and triplet states of organic diradicals

Physical chemistry chemical physics : PCCP, 2011-07, Vol.13 (25), p.11792-11813

2011

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Reactions that involve tunneling by carbon and the role that calculations have played in their study

Wiley interdisciplinary reviews. Computational molecular science, 2016-01, Vol.6 (1), p.20-46

Borden, Weston Thatcher

2016

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Why Are Addition Reactions to N2 Thermodynamically Unfavorable?

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-02, Vol.121 (5), p.1140-1144

Borden, Weston Thatcher

2017

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Lowest Singlet and Triplet States of the Oxyallyl Diradical

Angewandte Chemie (International ed.), 2009-10, Vol.48 (45), p.8509-8511

2009

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The Cope Rearrangement of 1,5‐Dimethylsemibullvalene‐2(4)‐d1: Experimental Evidence for Heavy‐Atom Tunneling

Angewandte Chemie International Edition, 2017-08, Vol.56 (36), p.10746-10749

International ed. in English, 2017

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Photoelectron Spectroscopy and Theoretical Studies of PCSe−, AsCS−, AsCSe−, and NCSe−: Insights into the Electronic Structures of the Whole Family of ECX− Anions (E=N, P, As; X=O, S, Se)

Angewandte Chemie (International ed.), 2019-10, Vol.58 (42), p.15062-15068

International ed. in English, 2019

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Heavy-Atom Tunneling in the Ring Opening of a Strained Cyclopropene at Very Low Temperatures

Chemistry : a European journal, 2014-04, Vol.20 (16), p.4713-4720

2014

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With a Little Help from My Friends: Forty Years of Fruitful Chemical Collaborations

Journal of organic chemistry, 2011-05, Vol.76 (9), p.2943-2964

Borden, Weston Thatcher

2011

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Current Applications of Computational Chemistry in JACSMolecules, Mechanisms, and Materials

Journal of the American Chemical Society, 2011-09, Vol.133 (38), p.14841-14843

Borden, Weston Thatcher

2011

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Frontispiece: Photoelectron Spectroscopy and Theoretical Studies of PCSe−, AsCS−, AsCSe−, and NCSe−: Insights into the Electronic Structures of the Whole Family of ECX− Anions (E=N, P, As; X=O, S, Se)

Angewandte Chemie International Edition, 2019-10, Vol.58 (42), p.n/a

International ed. in English, 2019

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Calculations on 1,8‐naphthoquinone predict that the ground state of this diradical is a singlet

Journal of computational chemistry, 2019-01, Vol.40 (1), p.119-126

2019

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Formation of Ground State Triplet Diradicals from Annulated Rosarin Derivatives by Triprotonation

Journal of the American Chemical Society, 2015-08, Vol.137 (31), p.9780-9783

2015

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Correction to "Why Are Addition Reactions to N 2 Thermodynamically Unfavorable?"

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-02, Vol.128 (6), p.1181-1181

Borden, Weston Thatcher

2024

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Correction to “Why Are Addition Reactions to N2 Thermodynamically Unfavorable?”

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-02, Vol.128 (6), p.1181-1181

Borden, Weston Thatcher

2024

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Calculations of the relative energies of the low‐lying electronic states of 2,7‐naphthoquinodimethane and 2,7‐naphthoquinone. Substitution of oxygen for CH2 is predicted to increase the singlet‐triplet energy difference (ΔEST)

Journal of physical organic chemistry, 2018-08, Vol.31 (8), p.n/a

2018

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Calculations of the energies of the low‐lying electronic states of dioxatrimethylenemethane (H2CCO2) and prediction of the negative ion photoelectron (NIPE) spectrum of its radical anion

Journal of physical organic chemistry, 2017-04, Vol.30 (4), p.n/a

2017

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Calculations Predict Rapid Tunneling by Carbon from the Vibrational Ground State in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperatures

Journal of the American Chemical Society, 2008-05, Vol.130 (21), p.6684-6685

2008

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Like (CO)4, Do (CS)4 and (CSe)4 Have a Triplet Ground State?

Chemistry : a European journal, 2013-04, Vol.19 (18), p.5687-5693

2013

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Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical

Journal of the American Chemical Society, 2009-11, Vol.131 (44), p.16002-16003

2009

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Molecular Orbitals of the Oxocarbons (CO) n , n = 2–6. Why Does (CO)4 Have a Triplet Ground State?

Journal of the American Chemical Society, 2012-06, Vol.134 (24), p.10259-10270

2012

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The Negative Ion Photoelectron Spectrum of meta-Benzoquinone Radical Anion (MBQ•–): A Joint Experimental and Computational Study

Journal of the American Chemical Society, 2014-03, Vol.136 (9), p.3589-3596

2014

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Slow Hydrogen Atom Transfer Reactions of Oxo- and Hydroxo-Vanadium Compounds: The Importance of Intrinsic Barriers

Journal of the American Chemical Society, 2009-04, Vol.131 (13), p.4729-4743

2009

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Dioxygen: What Makes This Triplet Diradical Kinetically Persistent?

Journal of the American Chemical Society, 2017-07, Vol.139 (26), p.9010-9018

2017

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Tunneling in the 1,5-Hydrogen Shift Reactions of 1,3-Cyclopentadiene and 5-Methyl-1,3-Cyclopentadiene

Journal of the American Chemical Society, 2007-01, Vol.129 (1), p.164-168

2007

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Carbon Tunneling from a Single Quantum State

Science (American Association for the Advancement of Science), 2003-02, Vol.299 (5608), p.867-870

2003

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The synergy between qualitative theory, quantitative calculations, and direct experiments in understanding, calculating, and measuring the energy differences between the lowest singlet and triplet states of organic diradicals

Reactions that involve tunneling by carbon and the role that calculations have played in their study

Why Are Addition Reactions to N2 Thermodynamically Unfavorable?

Lowest Singlet and Triplet States of the Oxyallyl Diradical

The Cope Rearrangement of 1,5‐Dimethylsemibullvalene‐2(4)‐d1: Experimental Evidence for Heavy‐Atom Tunneling

Photoelectron Spectroscopy and Theoretical Studies of PCSe−, AsCS−, AsCSe−, and NCSe−: Insights into the Electronic Structures of the Whole Family of ECX− Anions (E=N, P, As; X=O, S, Se)

Heavy-Atom Tunneling in the Ring Opening of a Strained Cyclopropene at Very Low Temperatures

With a Little Help from My Friends: Forty Years of Fruitful Chemical Collaborations

Current Applications of Computational Chemistry in JACSMolecules, Mechanisms, and Materials

Frontispiece: Photoelectron Spectroscopy and Theoretical Studies of PCSe−, AsCS−, AsCSe−, and NCSe−: Insights into the Electronic Structures of the Whole Family of ECX− Anions (E=N, P, As; X=O, S, Se)

Calculations on 1,8‐naphthoquinone predict that the ground state of this diradical is a singlet

Formation of Ground State Triplet Diradicals from Annulated Rosarin Derivatives by Triprotonation

Correction to "Why Are Addition Reactions to N 2 Thermodynamically Unfavorable?"

Correction to “Why Are Addition Reactions to N2 Thermodynamically Unfavorable?”

Calculations of the relative energies of the low‐lying electronic states of 2,7‐naphthoquinodimethane and 2,7‐naphthoquinone. Substitution of oxygen for CH2 is predicted to increase the singlet‐triplet energy difference (ΔEST)

Calculations of the energies of the low‐lying electronic states of dioxatrimethylenemethane (H2CCO2) and prediction of the negative ion photoelectron (NIPE) spectrum of its radical anion

Calculations Predict Rapid Tunneling by Carbon from the Vibrational Ground State in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperatures

Like (CO)4, Do (CS)4 and (CSe)4 Have a Triplet Ground State?

Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical

Molecular Orbitals of the Oxocarbons (CO) n , n = 2–6. Why Does (CO)4 Have a Triplet Ground State?

The Negative Ion Photoelectron Spectrum of meta-Benzoquinone Radical Anion (MBQ•–): A Joint Experimental and Computational Study

Slow Hydrogen Atom Transfer Reactions of Oxo- and Hydroxo-Vanadium Compounds: The Importance of Intrinsic Barriers

Dioxygen: What Makes This Triplet Diradical Kinetically Persistent?

Tunneling in the 1,5-Hydrogen Shift Reactions of 1,3-Cyclopentadiene and 5-Methyl-1,3-Cyclopentadiene

Carbon Tunneling from a Single Quantum State

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