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List of works by Eric Berquist

A First Principles Approach for Partitioning Linear Response Properties into Additive and Cooperative Contributions

scientific article published on 11 January 2018

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

article

Erratum: "Ultrafast vibrational spectroscopy (2D-IR) of CO2 in ionic liquids: Carbon capture from carbon dioxide's point of view" [J. Chem. Phys. 142, 212425 (2015)].

scientific article published in July 2017

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: I. Ab Initio Calculations.

scientific article published on 30 December 2016

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: II. Spectroscopic Map.

scientific article

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.

scientific article

Towards Long-Term Scientific Model Sustainment at Sandia National Laboratories

scientific article published on 18 October 2024

Ultrafast vibrational spectroscopy (2D-IR) of CO2 in ionic liquids: Carbon capture from carbon dioxide’s point of view

scientific article published on 7 June 2015

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