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List of works by Justin M Turney

A comparison between hydrogen and halogen bonding: the hypohalous acid-water dimers, HOXH2O (X = F, Cl, Br)

scientific article published on 01 March 2019

Analytic Energy Gradients for Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Theory.

scientific article

Assessing the orbital-optimized unitary Ansatz for density cumulant theory

scientific article published on 01 December 2020

Characterization of the 2-methylvinoxy radical + O2 reaction: A focal point analysis and composite multireference study

scientific article published on 01 September 2019

Energetics and mechanisms for the acetonyl radical + O2 reaction: An important system for atmospheric and combustion chemistry

scientific article published on 01 March 2020

Ethylperoxy radical: approaching spectroscopic accuracy via coupled-cluster theory

scientific article published on 01 June 2017

Fermi.jl: A Modern Design for Quantum Chemistry

scientific article published on 03 January 2022

High level ab initio investigation of the catalytic effect of water on formic acid decomposition and isomerization

scientific article published on 04 November 2020

Important features of the potential energy surface of the methylamine plus O(1D) reaction

scientific article published on 29 October 2019

Janus: An Extensible Open-Source Software Package for Adaptive QM/MM Methods

scientific article published on 16 July 2019

Mechanisms of the Ethynyl Radical Reaction with Molecular Oxygen

scientific article published on 30 November 2018

PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces

scientific article published on 08 July 2019

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

scientific article

Psi4 1.4: Open-source software for high-throughput quantum chemistry

scientific article published on 01 May 2020

Psi4: an open-source ab initio electronic structure program

article

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

scientific article

Reduced Density Matrix Cumulants: The Combinatorics of Size-Consistency and Generalized Normal Ordering

scientific article published on 15 September 2020

Structural Distortions Accompanying Noncovalent Interactions: Methane-Water, the Simplest C-H Hydrogen Bond.

scientific article published on 14 February 2017

Sulfurous and sulfonic acids: Predicting the infrared spectrum and setting the surface straight

scientific article published on 01 January 2020

The addition of methanol to Criegee intermediates

scientific article published on 01 August 2019

The atmospheric importance of methylamine additions to Criegee intermediates

scientific article published on 01 October 2020

The bismuth tetramer Bi4: the ν3 key to experimental observation

scientific article published on 01 August 2018

The fate of the tert-butyl radical in low-temperature autoignition reactions

scientific article

The non-covalently bound SOH2O system, including an interpretation of the differences between SOH2O and O2H2O

scientific article published on 01 November 2018

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