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Re-Examination of Some Carbocations. Structures, Energies, and Charge Distributions

Journal of organic chemistry, 2020-09, Vol.85 (18), p.11741-11749

2020

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Basis set effects on calculated geometries: 6-311++G vs. aug-cc-pVDZ

Journal of computational chemistry, 2004-08, Vol.25 (11), p.1342-1346

Wiberg, Kenneth B.

2004

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Total Synthesis of (±)‐Phyllantidine: Development and Mechanistic Evaluation of a Ring Expansion for Installation of Embedded Nitrogen‐Oxygen Bonds

Angewandte Chemie International Edition, 2020-06, Vol.59 (24), p.9757-9766

International ed. in English, 2020

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Electronic Transition Energies: A Study of the Performance of a Large Range of Single Reference Density Functional and Wave Function Methods on Valence and Rydberg States Compared to Experiment

Journal of chemical theory and computation, 2010-02, Vol.6 (2), p.370-383

2010

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Mechanism of the Oxidation of Alcohols by Oxoammonium Cations

Journal of organic chemistry, 2007-06, Vol.72 (12), p.4504-4509

2007

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Insights on the Origin of the Unusually Large Specific Rotation of (1S,4S)‑Norbornenone

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-07, Vol.118 (26), p.4863-4871

2014

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Halogen–Halogen Nonbonded Interactions

ACS omega, 2021-06, Vol.6 (23), p.15199-15204

Wiberg, Kenneth B

2021

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Oscillator Strength: How Does TDDFT Compare to EOM-CCSD?

Journal of chemical theory and computation, 2011-02, Vol.7 (2), p.456-466

2011

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Facile Oxidation of Primary Amines to Nitriles Using an Oxoammonium Salt

Organic letters, 2014-12, Vol.16 (24), p.6484-6487

2014

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Proton Donor Acidity Controls Selectivity in Nonaromatic Nitrogen Heterocycle Synthesis

Science (American Association for the Advancement of Science), 2013-02, Vol.339 (6120), p.678-682

2013

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Antiaromaticity in Monocyclic Conjugated Carbon Rings

Chemical reviews, 2001-05, Vol.101 (5), p.1317-1332

Wiberg, Kenneth B

2001

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Deoxygenation of Alcohols Employing Water as the Hydrogen Atom Source

Journal of the American Chemical Society, 2005-09, Vol.127 (36), p.12513-12515

2005

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Atomic Charges

Journal of organic chemistry, 2018-12, Vol.83 (24), p.15463-15469

2018

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Controlling the Conformational Energy of a Phenyl Group by Tuning the Strength of a Nonclassical CH···O Hydrogen Bond: The Case of 5‑Phenyl-1,3-dioxane

Journal of organic chemistry, 2016-12, Vol.81 (24), p.12116-12127

2016

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Relationship between Rotational Barriers and Charge Shifts

Journal of organic chemistry, 2019-09, Vol.84 (17), p.10938-10945

Wiberg, Kenneth B

2019

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Chiroptical Properties of Imines Derived from R‑(+)-Norbornenone: The Role of Electronegativity Differences

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-11, Vol.121 (43), p.8247-8250

Wiberg, Kenneth B

2017

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The Anomeric Effect: It’s Complicated

Journal of organic chemistry, 2018-05, Vol.83 (9), p.5242-5255

2018

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Effect of Remote Aryl Substituents on the Conformational Equilibria of 2,2-Diaryl-1,3-dioxanes: Importance of Electrostatic Interactions

Journal of organic chemistry, 2015-04, Vol.80 (8), p.4108-4115

2015

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Substituent Effects on the Acidity of Weak Acids. 2. Calculated Gas-Phase Acidities of Substituted Benzoic Acids

Journal of organic chemistry, 2002-07, Vol.67 (14), p.4787-4794

Wiberg, Kenneth B

2002

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Chirality Induced by the Interaction of CC and CX Bonds (XCH2, NH, NH2 +, O, and S) Separated by a Methylene Group

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-10, Vol.120 (39), p.7771-7777

Wiberg, Kenneth B

2016

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Substituent Effects on O–H Bond Dissociation Enthalpies: A Computational Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-01, Vol.117 (1), p.213-218

2013

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Increase in Strain Energy during Conversion of [4.4.4.5]Fenestrane to [4.4.4.4]Fenestrane: a Method for Estimating the Heats of Formation of Hydrocarbons and Their Derivatives from Ab Initio Energies

Journal of organic chemistry, 2020-04, Vol.85 (7), p.4981-4987

2020

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Cavity Ring-Down Polarimetry (CRDP): A New Scheme for Probing Circular Birefringence and Circular Dichroism in the Gas Phase

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-06, Vol.104 (25), p.5959-5968

2000

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Conformational Effects on Optical Rotation. 3-Substituted 1-Butenes

Journal of the American Chemical Society, 2003-02, Vol.125 (7), p.1888-1896

2003

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Solvent Effects on the Thioamide Rotational Barrier: An Experimental and Theoretical Study

Journal of the American Chemical Society, 2001-03, Vol.123 (9), p.2038-2046

2001

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Re-Examination of Some Carbocations. Structures, Energies, and Charge Distributions

Basis set effects on calculated geometries: 6-311++G vs. aug-cc-pVDZ

Total Synthesis of (±)‐Phyllantidine: Development and Mechanistic Evaluation of a Ring Expansion for Installation of Embedded Nitrogen‐Oxygen Bonds

Electronic Transition Energies: A Study of the Performance of a Large Range of Single Reference Density Functional and Wave Function Methods on Valence and Rydberg States Compared to Experiment

Mechanism of the Oxidation of Alcohols by Oxoammonium Cations

Insights on the Origin of the Unusually Large Specific Rotation of (1S,4S)‑Norbornenone

Halogen–Halogen Nonbonded Interactions

Oscillator Strength: How Does TDDFT Compare to EOM-CCSD?

Facile Oxidation of Primary Amines to Nitriles Using an Oxoammonium Salt

Proton Donor Acidity Controls Selectivity in Nonaromatic Nitrogen Heterocycle Synthesis

Antiaromaticity in Monocyclic Conjugated Carbon Rings

Deoxygenation of Alcohols Employing Water as the Hydrogen Atom Source

Atomic Charges

Controlling the Conformational Energy of a Phenyl Group by Tuning the Strength of a Nonclassical CH···O Hydrogen Bond: The Case of 5‑Phenyl-1,3-dioxane

Relationship between Rotational Barriers and Charge Shifts

Chiroptical Properties of Imines Derived from R‑(+)-Norbornenone: The Role of Electronegativity Differences

The Anomeric Effect: It’s Complicated

Effect of Remote Aryl Substituents on the Conformational Equilibria of 2,2-Diaryl-1,3-dioxanes: Importance of Electrostatic Interactions

Substituent Effects on the Acidity of Weak Acids. 2. Calculated Gas-Phase Acidities of Substituted Benzoic Acids

Chirality Induced by the Interaction of CC and CX Bonds (XCH2, NH, NH2 +, O, and S) Separated by a Methylene Group

Substituent Effects on O–H Bond Dissociation Enthalpies: A Computational Study

Increase in Strain Energy during Conversion of [4.4.4.5]Fenestrane to [4.4.4.4]Fenestrane: a Method for Estimating the Heats of Formation of Hydrocarbons and Their Derivatives from Ab Initio Energies

Cavity Ring-Down Polarimetry (CRDP): A New Scheme for Probing Circular Birefringence and Circular Dichroism in the Gas Phase

Conformational Effects on Optical Rotation. 3-Substituted 1-Butenes

Solvent Effects on the Thioamide Rotational Barrier: An Experimental and Theoretical Study

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