Rebecca K Carlson

7PUBLICATIONS
101CO-AUTHORS
Theoretical quantum chemistryProgramming languagesReaction engineering (excl. nuclear reactions)Formal methods for softwareTheory and design of materials
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Publications (7)

|Mar 26, 2025
Simple Linear Regression Models for Prediction of Ionization Energies, Electron Affinities, and Fundamental Gaps of Atoms and Molecules.

Rebecca K Carlson

|May 22, 2023
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry.

Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi

|Nov 17, 2020
Mechanistic Study of the Production of NO Gases from the Reaction of Copper with Nitric Acid.

Rebecca K Carlson, Ping Yang, Samuel M Clegg

|Apr 28, 2020
Tight-Binding Modeling of Uranium in an Aqueous Environment.

Rebecca K Carlson, M J Cawkwell, Enrique R Batista

|Sep 12, 2019
OpenMolcas: From Source Code to Insight.

Ignacio Fdez Galván, Morgane Vacher, Ali Alavi

|Aug 23, 2019
On-Top Ratio for Atoms and Molecules.

Rebecca K Carlson, Donald G Truhlar, Laura Gagliardi

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Frequent Collaborators

4 joint publications

Donald G Truhlar

4 joint publications

Laura Gagliardi

2 joint publications

Ignacio Fdez Galván

2 joint publications

Morgane Vacher