John Herbert

Professor

Ohio State University

United States

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Articles (20)

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2024

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2023

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2023

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2023

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2023

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2022

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2022

Collaborators (6)

Avik Kumar Ojha

Ohio State University

UNITED STATES

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Christine M. Morales

Hawaii Pacific University

UNITED STATES

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Kevin Carter-Fenk

Assistant Professor

University of Pittsburgh

UNITED STATES

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Hrant Hratchian

Associate Professor

University of California Merced

UNITED STATES

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Carol A. Parish

University of Richmond

UNITED STATES

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Jan Verlet

Professor

University of Durham

UNITED KINGDOM

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John Herbert

Research Interests

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Articles (20)

Comment on “Benchmarking Basis Sets for Density Functional Theory Thermochemistry Calculations: Why Unpolarized Basis Sets and the Polarized 6-311G Family Should Be Avoided”

Assessing the domain-based local pair natural orbital (DLPNO) approximation for non-covalent interactions in sizable supramolecular complexes

Benchmarking Charge-Transfer Excited States in TADF Emitters: ΔDFT Outperforms TD-DFT for Emission Energies

A new parameterization of the DFT/CIS method with applications to core-level spectroscopy

Eliminating Imaginary Vibrational Frequencies in Quantum-Chemical Cluster Models of Enzymatic Active Sites

Water-Mediated Charge Transfer and Electron Localization in a Co3Fe2 Cyanide-Bridged Trigonal Bipyramidal Complex

Author Correction: Spectroscopy and dynamics of the hydrated electron at the water/air interface

Spectroscopy and dynamics of the hydrated electron at the water/air interface

Visualizing and characterizing excited states from time-dependent density functional theory

Time-Dependent Density Functional Theory for X-ray Absorption Spectra: Comparing the Real-Time Approach to Linear Response

Fractional-Electron and Transition-Potential Methods for Core-to-Valence Excitation Energies Using Density Functional Theory

Correction to “Birth of the Hydrated Electron via Charge-Transfer-to-Solvent Excitation of Aqueous Iodide”

Fragment-Based Calculations of Enzymatic Thermochemistry Require Dielectric Boundary Conditions

Slater transition methods for core-level electron binding energies

Origins of Offset-Stacking in Porous Frameworks

Birth of the Hydrated Electron via Charge-Transfer-to-Solvent Excitation of Aqueous Iodide

Academic free speech or right-wing grievance?

Ground-State Orbital Analysis Predicts S1 Charge Transfer in Donor–Acceptor Materials

Words Matter: On the Debate over Free Speech, Inclusivity, and Academic Excellence

Systematic Evaluation of Counterpoise Correction in Density Functional Theory

Collaborators (6)

Avik Kumar Ojha

Christine M. Morales

Kevin Carter-Fenk

Hrant Hratchian

Carol A. Parish

Jan Verlet

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