Donald Truhlar

University of Minnesota

United States

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Articles (10)

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2023

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2023

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2023

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2023

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2023

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2023

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2023

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2023

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2023

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2023

Collaborators (6)

Benjamin Janesko

Assistant Professor

Texas Christian University

UNITED STATES

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Junwei Bao

Assistant Professor

Boston College

UNITED STATES

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Orlando Crescenzi

University of Naples Federico II

ITALY

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Carlo Adamo

PSL Research University

FRANCE

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Ilaria Ciofini

FRANCE

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Aleksandr Lykhin

University of Chicago

UNITED STATES

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Donald Truhlar

Research Interests

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Articles (10)

Barrier Heights for Diels–Alder Transition States Leading to Pentacyclic Adducts: A Benchmark Study of Crowded, Strained Transition States of Large Molecules

An Accurate Density Coherence Functional for Hybrid Multiconfiguration Density Coherence Functional Theory

Kinetics of Sulfur Trioxide Reaction with Water Vapor to Form Atmospheric Sulfuric Acid

Computational quantum chemistry of metal–organic frameworks

Semiclassical Multistate Dynamics for Six Coupled 5A′ States of O + O2

MSTor 2023: A new version of the computer code for multistructural torsional anharmonicity, now with automatic torsional identification using redundant internal coordinates

Parametrically Managed Activation Function for Fitting a Neural Network Potential with Physical Behavior Enforced by a Low-Dimensional Potential

Linearized Pair-Density Functional Theory

Dipole Moments and Transition Dipole Moments Calculated by Pair-Density Functional Theory with State Interaction

Correction to “Identification of Torsional Modes in Complex Molecules Using Redundant Internal Coordinates: The Multistructural Method with Torsional Anharmonicity with a Coupled Torsional Potential and Delocalized Torsions”

Collaborators (6)

Benjamin Janesko

Junwei Bao

Orlando Crescenzi

Carlo Adamo

Ilaria Ciofini

Aleksandr Lykhin

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