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Understanding Substituent Effects in Noncovalent Interactions Involving Aromatic Rings

Accounts of chemical research, 2013-04, Vol.46 (4), p.1029-1038

Wheeler, Steven E

2013

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Local Nature of Substituent Effects in Stacking Interactions

Journal of the American Chemical Society, 2011-07, Vol.133 (26), p.10262-10274

Wheeler, Steven E

2011

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Chiral phosphoric acid catalysis: from numbers to insights

Chemical Society reviews, 2018-01, Vol.47 (4), p.1142-1158

2018

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Toward a More Complete Understanding of Noncovalent Interactions Involving Aromatic Rings

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-08, Vol.118 (32), p.6133-6147

2014

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Noncovalent Interactions in Organocatalysis and the Prospect of Computational Catalyst Design

Accounts of chemical research, 2016-05, Vol.49 (5), p.1061-1069

2016

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Predicting the Strength of Stacking Interactions between Heterocycles and Aromatic Amino Acid Side Chains

Journal of the American Chemical Society, 2019-07, Vol.141 (28), p.11027-11035

2019

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Automated Quantum Mechanical Predictions of Enantioselectivity in a Rhodium‐Catalyzed Asymmetric Hydrogenation

Angewandte Chemie International Edition, 2017-07, Vol.56 (31), p.9101-9105

International ed. in English, 2017

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Importance of Electrostatic Effects in the Stereoselectivity of NHC-Catalyzed Kinetic Resolutions

Journal of the American Chemical Society, 2017-09, Vol.139 (36), p.12441-12449

2017

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AARON: An Automated Reaction Optimizer for New Catalysts

Journal of chemical theory and computation, 2018-10, Vol.14 (10), p.5249-5261

2018

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Stacking and Electrostatic Interactions Drive the Stereoselectivity of Silylium-Ion Asymmetric Counteranion-Directed Catalysis

Angewandte Chemie (International ed.), 2016-12, Vol.55 (51), p.15889-15893

International ed. in English, 2016

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Integration Grid Errors for Meta-GGA-Predicted Reaction Energies: Origin of Grid Errors for the M06 Suite of Functionals

Journal of chemical theory and computation, 2010-02, Vol.6 (2), p.395-404

2010

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Taking the Aromaticity out of Aromatic Interactions

Angewandte Chemie (International ed.), 2011-08, Vol.50 (34), p.7847-7849

International ed. in English, 2011

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Homodesmotic reactions for thermochemistry

Wiley interdisciplinary reviews. Computational molecular science, 2012-03, Vol.2 (2), p.204-220

Wheeler, Steven E.

2012

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Electrostatic Basis for Enantioselective Brønsted-Acid-Catalyzed Asymmetric Ring Openings of meso-Epoxides

ACS catalysis, 2016-04, Vol.6 (4), p.2681-2688

2016

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Low Band Gap Coplanar Conjugated Molecules Featuring Dynamic Intramolecular Lewis Acid–Base Coordination

Journal of organic chemistry, 2016-05, Vol.81 (10), p.4347-4352

2016

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Bifurcations on Potential Energy Surfaces of Organic Reactions

Angewandte Chemie (International ed.), 2008-09, Vol.47 (40), p.7592-7601

2008

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A Hierarchy of Homodesmotic Reactions for Thermochemistry

Journal of the American Chemical Society, 2009-02, Vol.131 (7), p.2547-2560

2009

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Activation Mode and Origin of Selectivity in Chiral Phosphoric Acid-Catalyzed Oxacycle Formation by Intramolecular Oxetane Desymmetrizations

ACS catalysis, 2017-10, Vol.7 (10), p.7332-7339

2017

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Converting SMILES to Stacking Interaction Energies

Journal of chemical information and modeling, 2019-08, Vol.59 (8), p.3413-3421

2019

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Through-Space Effects of Substituents Dominate Molecular Electrostatic Potentials of Substituted Arenes

Journal of chemical theory and computation, 2009-09, Vol.5 (9), p.2301-2312

2009

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Design of Organocatalysts for Asymmetric Propargylations through Computational Screening

ACS catalysis, 2016-11, Vol.6 (11), p.7948-7955

2016

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Competing Noncovalent Interactions Control the Stereoselectivity of Chiral Phosphoric Acid Catalyzed Ring Openings of 3‑Substituted Oxetanes

ACS catalysis, 2016-10, Vol.6 (10), p.7222-7228

2016

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Intercolumnar Interactions Control the Local Orientations within Columnar Stacks of Sumanene and Sumanene Derivatives

Journal of physical chemistry. C, 2017-04, Vol.121 (15), p.8541-8547

2017

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Probing Substituent Effects in Aryl−Aryl Interactions Using Stereoselective Diels−Alder Cycloadditions

Journal of the American Chemical Society, 2010-03, Vol.132 (10), p.3304-3311

2010

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Molecular Coplanarity and Self-Assembly Promoted by Intramolecular Hydrogen Bonds

Organic letters, 2016-12, Vol.18 (24), p.6332-6335

2016

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Understanding Substituent Effects in Noncovalent Interactions Involving Aromatic Rings

Local Nature of Substituent Effects in Stacking Interactions

Chiral phosphoric acid catalysis: from numbers to insights

Toward a More Complete Understanding of Noncovalent Interactions Involving Aromatic Rings

Noncovalent Interactions in Organocatalysis and the Prospect of Computational Catalyst Design

Predicting the Strength of Stacking Interactions between Heterocycles and Aromatic Amino Acid Side Chains

Automated Quantum Mechanical Predictions of Enantioselectivity in a Rhodium‐Catalyzed Asymmetric Hydrogenation

Importance of Electrostatic Effects in the Stereoselectivity of NHC-Catalyzed Kinetic Resolutions

AARON: An Automated Reaction Optimizer for New Catalysts

Stacking and Electrostatic Interactions Drive the Stereoselectivity of Silylium-Ion Asymmetric Counteranion-Directed Catalysis

Integration Grid Errors for Meta-GGA-Predicted Reaction Energies: Origin of Grid Errors for the M06 Suite of Functionals

Taking the Aromaticity out of Aromatic Interactions

Homodesmotic reactions for thermochemistry

Electrostatic Basis for Enantioselective Brønsted-Acid-Catalyzed Asymmetric Ring Openings of meso-Epoxides

Low Band Gap Coplanar Conjugated Molecules Featuring Dynamic Intramolecular Lewis Acid–Base Coordination

Bifurcations on Potential Energy Surfaces of Organic Reactions

A Hierarchy of Homodesmotic Reactions for Thermochemistry

Activation Mode and Origin of Selectivity in Chiral Phosphoric Acid-Catalyzed Oxacycle Formation by Intramolecular Oxetane Desymmetrizations

Converting SMILES to Stacking Interaction Energies

Through-Space Effects of Substituents Dominate Molecular Electrostatic Potentials of Substituted Arenes

Design of Organocatalysts for Asymmetric Propargylations through Computational Screening

Competing Noncovalent Interactions Control the Stereoselectivity of Chiral Phosphoric Acid Catalyzed Ring Openings of 3‑Substituted Oxetanes

Intercolumnar Interactions Control the Local Orientations within Columnar Stacks of Sumanene and Sumanene Derivatives

Probing Substituent Effects in Aryl−Aryl Interactions Using Stereoselective Diels−Alder Cycloadditions

Molecular Coplanarity and Self-Assembly Promoted by Intramolecular Hydrogen Bonds

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