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Routes involving no free C2 in a DFT-computed mechanistic model for the reported room-temperature chemical synthesis of C2

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (22), p.12630-12636

Rzepa, Henry S

2021

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A thermodynamic assessment of the reported room-temperature chemical synthesis of C2

Nature communications, 2021-02, Vol.12 (1), p.1241-1241, Article 1241

Rzepa, Henry S.

2021

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Chemoselective Polymerizations from Mixtures of Epoxide, Lactone, Anhydride, and Carbon Dioxide

Journal of the American Chemical Society, 2016-03, Vol.138 (12), p.4120-4131

2016

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A thermodynamic assessment of the reported room-temperature chemical synthesis of C 2

Nature communications, 2021-02, Vol.12 (1), p.1241

Rzepa, Henry S

2021

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One Molecule, Two Atoms, Three Views, Four Bonds?

Angewandte Chemie International Edition, 2013-03, Vol.52 (10), p.3020-3033

International ed. in English, 2013

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Teaching FAIR in computational chemistry: managing and publishing data using the twin tools of compute portals and repositories

Canadian journal of chemistry, 2023-09, Vol.101 (9), p.725-733

Rzepa, Henry S.

2023

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General Synthesis of 3‐Azabicyclo[3.1.1]heptanes and Evaluation of Their Properties as Saturated Isosteres

Angewandte Chemie International Edition, 2023-09, Vol.62 (39), p.e202304246-n/a

2023

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Möbius Aromaticity and Delocalization

Chemical reviews, 2005-10, Vol.105 (10), p.3697-3715

Rzepa, Henry S

2005

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The Long and Winding Road towards FAIR Data as an Integral Component of the Computational Modelling and Dissemination of Chemistry

Israel journal of chemistry, 2022-02, Vol.62 (1-2), p.n/a

Rzepa, Henry S.

2022

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A data‐oriented approach to making new molecules as a student experiment: artificial intelligence‐enabling FAIR publication of NMR data for organic esters

Magnetic resonance in chemistry, 2022-01, Vol.60 (1), p.93-103

2022

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Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design

Journal of the American Chemical Society, 2017-01, Vol.139 (3), p.1261-1274

2017

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A solid-supported arylboronic acid catalyst for direct amidation

Chemical communications (Cambridge, England), 2019, Vol.55 (20), p.2916-2919

2019

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Erratum: A data‐oriented approach to making new molecules as a student experiment: Artificial intelligence‐enabling FAIR publication of NMR data for organic esters

Magnetic resonance in chemistry, 2022-11, Vol.60 (11), p.1032-1043

2022

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Equilibrium between a cyclotrisilene and an isolable base adduct of a disilenyl silylene

Nature chemistry, 2013-10, Vol.5 (10), p.876-879

2013

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A combined DFT-predictive and experimental exploration of the sensitivity towards nucleofuge variation in zwitterionic intermediates relating to mechanistic models for unimolecular chemical generation and trapping of free C2 and alternative bimolecular pathways involving no free C2

Physical chemistry chemical physics : PCCP, 2022-11, Vol.24 (42), p.25816-25821

2022

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Tricyclic Aromatic Isomer of Hexasilabenzene

Science (American Association for the Advancement of Science), 2010-01, Vol.327 (5965), p.564-566

2010

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N-Heterocyclic Carbene Coordinated Neutral and Cationic Heavier Cyclopropylidenes

Angewandte Chemie International Edition, 2014-09, Vol.53 (37), p.9953-9956

International ed. in English, 2014

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The Houk–List transition states for organocatalytic mechanisms revisited

Chemical science (Cambridge), 2014-01, Vol.5 (5), p.2057-2071

2014

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Equilibrium Formation of Stable All‐Silicon Versions of 1,3‐Cyclobutanediyl

Angewandte Chemie International Edition, 2020-08, Vol.59 (35), p.15087-15092

International ed. in English, 2020

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The Nature of the Fourth Bond in the Ground State of C2: The Quadruple Bond Conundrum

Chemistry : a European journal, 2014-05, Vol.20 (21), p.6220-6232

2014

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Mechanistic insights into boron-catalysed direct amidation reactions

Chemical science (Cambridge), 2018-01, Vol.9 (4), p.1058-1072

2018

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A Stable Derivative of the Global Minimum on the Si6H6 Potential Energy Surface

Angewandte Chemie International Edition, 2011-08, Vol.50 (34), p.7936-7939

International ed. in English, 2011

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Mechanistic Diversity in Thermal Fragmentation Reactions: A Computational Exploration of CO and CO2 Extrusions from Five-Membered Rings

Journal of organic chemistry, 2013-08, Vol.78 (15), p.7565-7574

2013

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Cycloparaphenylene Möbius trefoils

Chemical communications (Cambridge, England), 2020-11, Vol.56 (88), p.13567-1357

2020

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A Response to the Critical Comments on "One Molecule, Two Atoms, Three Views, Four Bonds?"

Angewandte Chemie International Edition, 2013-06, Vol.52 (23), p.5926-5928

International ed. in English, 2013

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Routes involving no free C2 in a DFT-computed mechanistic model for the reported room-temperature chemical synthesis of C2

A thermodynamic assessment of the reported room-temperature chemical synthesis of C2

Chemoselective Polymerizations from Mixtures of Epoxide, Lactone, Anhydride, and Carbon Dioxide

A thermodynamic assessment of the reported room-temperature chemical synthesis of C 2

One Molecule, Two Atoms, Three Views, Four Bonds?

Teaching FAIR in computational chemistry: managing and publishing data using the twin tools of compute portals and repositories

General Synthesis of 3‐Azabicyclo[3.1.1]heptanes and Evaluation of Their Properties as Saturated Isosteres

Möbius Aromaticity and Delocalization

The Long and Winding Road towards FAIR Data as an Integral Component of the Computational Modelling and Dissemination of Chemistry

A data‐oriented approach to making new molecules as a student experiment: artificial intelligence‐enabling FAIR publication of NMR data for organic esters

Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design

A solid-supported arylboronic acid catalyst for direct amidation

Erratum: A data‐oriented approach to making new molecules as a student experiment: Artificial intelligence‐enabling FAIR publication of NMR data for organic esters

Equilibrium between a cyclotrisilene and an isolable base adduct of a disilenyl silylene

A combined DFT-predictive and experimental exploration of the sensitivity towards nucleofuge variation in zwitterionic intermediates relating to mechanistic models for unimolecular chemical generation and trapping of free C2 and alternative bimolecular pathways involving no free C2

Tricyclic Aromatic Isomer of Hexasilabenzene

N-Heterocyclic Carbene Coordinated Neutral and Cationic Heavier Cyclopropylidenes

The Houk–List transition states for organocatalytic mechanisms revisited

Equilibrium Formation of Stable All‐Silicon Versions of 1,3‐Cyclobutanediyl

The Nature of the Fourth Bond in the Ground State of C2: The Quadruple Bond Conundrum

Mechanistic insights into boron-catalysed direct amidation reactions

A Stable Derivative of the Global Minimum on the Si6H6 Potential Energy Surface

Mechanistic Diversity in Thermal Fragmentation Reactions: A Computational Exploration of CO and CO2 Extrusions from Five-Membered Rings

Cycloparaphenylene Möbius trefoils

A Response to the Critical Comments on "One Molecule, Two Atoms, Three Views, Four Bonds?"

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