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NBO 7.0: New vistas in localized and delocalized chemical bonding theory

Journal of computational chemistry, 2019-09, Vol.40 (25), p.2234-2241

2019

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NBO 6.0: Natural bond orbital analysis program

Journal of computational chemistry, 2013-06, Vol.34 (16), p.1429-1437

2013

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Natural bond orbital methods

Wiley interdisciplinary reviews. Computational molecular science, 2012-01, Vol.2 (1), p.1-42

2012

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Pauling's Conceptions of Hybridization and Resonance in Modern Quantum Chemistry

Molecules (Basel, Switzerland), 2021-07, Vol.26 (14), p.4110

2021

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Efficient optimization of natural resonance theory weightings and bond orders by gram‐based convex programming

Journal of computational chemistry, 2019-09, Vol.40 (23), p.2028-2035

2019

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Natural Energy Decomposition Analysis: Extension to Density Functional Methods and Analysis of Cooperative Effects in Water Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-12, Vol.109 (51), p.11936-11940

Glendening, Eric D

2005

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Natural resonance-theoretic conceptions of extreme electronic delocalization in soft materials

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (4), p.2815-2822

2024

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Resonance Theory Reboot

Journal of the American Chemical Society, 2019-03, Vol.141 (10), p.4156-4166

2019

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Comment on “Superposition of Waves or Densities: Which Is the Nature of Chemical Resonance?” [J. Comput. Chem. 2021, 42, 412–417]

Journal of computational chemistry, 2021-07, Vol.42 (19), p.1338-1340

2021

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Actinyl cation-cation interactions in the gas phase: an accurate thermochemical study

Physical chemistry chemical physics : PCCP, 2019-04, Vol.21 (15), p.7953-7964

2019

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Coupled Cluster Studies of Platinum–Actinide Interactions. Thermochemistry of PtAnO n+ (n = 0–2 and An = U, Np, Pu)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-06, Vol.125 (24), p.5335-5345

2021

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Correction to “Exploring the Nature of the H2 Bond. 1. Using Spreadsheet Calculations To Examine the Valence Bond and Molecular Orbital Methods”

Journal of chemical education, 2023-06, Vol.100 (6), p.2478-2478

2023

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Visualizing Solutions of the One-Dimensional Schrödinger Equation Using a Finite Difference Method

Journal of chemical education, 2022-08, Vol.99 (8), p.3053-3060

2022

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Coupled Cluster Study of the Interactions of AnO2, AnO2+, and AnO22+ (An = U, Np) with N2 and CO

Inorganic chemistry, 2020-04, Vol.59 (7), p.4753-4763

2020

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Coupled Cluster Study of the Interactions of AnO 2 , AnO 2 + , and AnO 2 2+ (An = U, Np) with N 2 and CO

Inorganic chemistry, 2020-04, Vol.59 (7), p.4753-4763

2020

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Physiker versus Organiker Views of Reaction “Mechanism”: How Natural Resonance Theory Bridges the Gap

Journal of chemical education, 2022-11, Vol.99 (11), p.3702-3712

2022

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An Ab Initio Investigation of the Structure and Alkali Metal Cation Selectivity of 18-Crown-6

Journal of the American Chemical Society, 1994-11, Vol.116 (23), p.10657-10669

1994

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Correction to “The Inversion Potential of Ammonia: An Intrinsic Reaction Coordinate Calculation for Student Investigation”

Journal of chemical education, 2019-07, Vol.96 (7), p.1536-1536

2019

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An Ab Initio Investigation of the Structure and Alkaline Earth Divalent Cation Selectivity of 18-Crown-6

Journal of the American Chemical Society, 1996-06, Vol.118 (25), p.6052-6059

1996

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Ab initio calculations of nitrogen oxide reactions: formation of N2O2, N2O3, N2O4, N2O5, and N4O2 from NO, NO2, NO3, and N2O

The Journal of chemical physics, 2007-10, Vol.127 (16), p.164307-164307

2007

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The Inversion Potential of Ammonia: An Intrinsic Reaction Coordinate Calculation for Student Investigation

Journal of chemical education, 2007-06, Vol.84 (6), p.1067

2007

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High-Resolution Infrared Spectroscopy in the 1200−1300 cm-1 Region and Accurate Theoretical Estimates for the Structure and Ring-Puckering Barrier of Perfluorocyclobutane

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-11, Vol.111 (44), p.11328-11341

2007

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Exploring the Nature of the H2 Bond. 1. Using Spreadsheet Calculations To Examine the Valence Bond and Molecular Orbital Methods

Journal of chemical education, 2013-11, Vol.90 (11), p.1452-1458

2013

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Exploring the Nature of the H2 Bond. 2. Using Ab Initio Molecular Orbital Calculations To Obtain the Molecular Constants

Journal of chemical education, 2013-11, Vol.90 (11), p.1459-1462

2013

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An intrinsic reaction coordinate calculation of the torsion-internal rotation potential of hydrogen peroxide and its isotopomers

The Journal of chemical physics, 2004-07, Vol.121 (1), p.273-279

2004

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NBO 7.0: New vistas in localized and delocalized chemical bonding theory

NBO 6.0: Natural bond orbital analysis program

Natural bond orbital methods

Pauling's Conceptions of Hybridization and Resonance in Modern Quantum Chemistry

Efficient optimization of natural resonance theory weightings and bond orders by gram‐based convex programming

Natural Energy Decomposition Analysis: Extension to Density Functional Methods and Analysis of Cooperative Effects in Water Clusters

Natural resonance-theoretic conceptions of extreme electronic delocalization in soft materials

Resonance Theory Reboot

Comment on “Superposition of Waves or Densities: Which Is the Nature of Chemical Resonance?” [J. Comput. Chem. 2021, 42, 412–417]

Actinyl cation-cation interactions in the gas phase: an accurate thermochemical study

Coupled Cluster Studies of Platinum–Actinide Interactions. Thermochemistry of PtAnO n+ (n = 0–2 and An = U, Np, Pu)

Correction to “Exploring the Nature of the H2 Bond. 1. Using Spreadsheet Calculations To Examine the Valence Bond and Molecular Orbital Methods”

Visualizing Solutions of the One-Dimensional Schrödinger Equation Using a Finite Difference Method

Coupled Cluster Study of the Interactions of AnO2, AnO2+, and AnO22+ (An = U, Np) with N2 and CO

Coupled Cluster Study of the Interactions of AnO 2 , AnO 2 + , and AnO 2 2+ (An = U, Np) with N 2 and CO

Physiker versus Organiker Views of Reaction “Mechanism”: How Natural Resonance Theory Bridges the Gap

An Ab Initio Investigation of the Structure and Alkali Metal Cation Selectivity of 18-Crown-6

Correction to “The Inversion Potential of Ammonia: An Intrinsic Reaction Coordinate Calculation for Student Investigation”

An Ab Initio Investigation of the Structure and Alkaline Earth Divalent Cation Selectivity of 18-Crown-6

Ab initio calculations of nitrogen oxide reactions: formation of N2O2, N2O3, N2O4, N2O5, and N4O2 from NO, NO2, NO3, and N2O

The Inversion Potential of Ammonia: An Intrinsic Reaction Coordinate Calculation for Student Investigation

High-Resolution Infrared Spectroscopy in the 1200−1300 cm-1 Region and Accurate Theoretical Estimates for the Structure and Ring-Puckering Barrier of Perfluorocyclobutane

Exploring the Nature of the H2 Bond. 1. Using Spreadsheet Calculations To Examine the Valence Bond and Molecular Orbital Methods

Exploring the Nature of the H2 Bond. 2. Using Ab Initio Molecular Orbital Calculations To Obtain the Molecular Constants

An intrinsic reaction coordinate calculation of the torsion-internal rotation potential of hydrogen peroxide and its isotopomers

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