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James L McDonagh

Showing results (1-10 of 13) with videos related to

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Physical Chemistry Chemical Physics : PCCP|January 12, 2024
Developing semi-empirical water model for efficiently simulating temperature-dependent chemisorption of CO<sub>2</sub> in amine solventsBinquan Luan, James L McDonagh
Springerplus|March 24, 2016
Bringing computational science to the publicJames L McDonagh, Daniel Barker, Rosanna G Alderson
The Journal of Chemical Physics|July 12, 2023
Application of machine-learning algorithms to predict the transport properties of Mie fluidsJustinas Šlepavičius, Alessandro Patti, James L McDonagh, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 3, 2017
The Transferability of Topologically Partitioned Electron Correlation Energies in Water ClustersArnaldo F Silva, Mark A Vincent, James L McDonagh, et al.
The Journal of Physical Chemistry Letters|April 13, 2017
Quantifying Electron Correlation of the Chemical BondJames L McDonagh, Arnaldo F Silva, Mark A Vincent, et al.
Journal of Chemical Information and Modeling|November 3, 2016
Are the Sublimation Thermodynamics of Organic Molecules Predictable?James L McDonagh, David S Palmer, Tanja van Mourik, et al.
Journal of Chemical Theory and Computation|December 7, 2017
Machine Learning of Dynamic Electron Correlation Energies from Topological AtomsJames L McDonagh, Arnaldo F Silva, Mark A Vincent, et al.
Journal of Chemical Information and Modeling|February 26, 2014
Uniting cheminformatics and chemical theory to predict the intrinsic aqueous solubility of crystalline druglike moleculesJames L McDonagh, Neetika Nath, Luna De Ferrari, et al.
Journal of Chemical Information and Modeling|September 25, 2019
Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force FieldsJames L McDonagh, Ardita Shkurti, David J Bray, et al.
Journal of Chemical Theory and Computation|November 26, 2015
First-Principles Calculation of the Intrinsic Aqueous Solubility of Crystalline Druglike MoleculesDavid S Palmer, James L McDonagh, John B O Mitchell, et al.
Pageof 2

Showing results (1-10 of 13) with videos related to

Sort By:
Pageof 2
Physical Chemistry Chemical Physics : PCCP|January 12, 2024
Developing semi-empirical water model for efficiently simulating temperature-dependent chemisorption of CO<sub>2</sub> in amine solventsBinquan Luan, James L McDonagh
Springerplus|March 24, 2016
Bringing computational science to the publicJames L McDonagh, Daniel Barker, Rosanna G Alderson
The Journal of Chemical Physics|July 12, 2023
Application of machine-learning algorithms to predict the transport properties of Mie fluidsJustinas Šlepavičius, Alessandro Patti, James L McDonagh, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 3, 2017
The Transferability of Topologically Partitioned Electron Correlation Energies in Water ClustersArnaldo F Silva, Mark A Vincent, James L McDonagh, et al.
The Journal of Physical Chemistry Letters|April 13, 2017
Quantifying Electron Correlation of the Chemical BondJames L McDonagh, Arnaldo F Silva, Mark A Vincent, et al.
Journal of Chemical Information and Modeling|November 3, 2016
Are the Sublimation Thermodynamics of Organic Molecules Predictable?James L McDonagh, David S Palmer, Tanja van Mourik, et al.
Journal of Chemical Theory and Computation|December 7, 2017
Machine Learning of Dynamic Electron Correlation Energies from Topological AtomsJames L McDonagh, Arnaldo F Silva, Mark A Vincent, et al.
Journal of Chemical Information and Modeling|February 26, 2014
Uniting cheminformatics and chemical theory to predict the intrinsic aqueous solubility of crystalline druglike moleculesJames L McDonagh, Neetika Nath, Luna De Ferrari, et al.
Journal of Chemical Information and Modeling|September 25, 2019
Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force FieldsJames L McDonagh, Ardita Shkurti, David J Bray, et al.
Journal of Chemical Theory and Computation|November 26, 2015
First-Principles Calculation of the Intrinsic Aqueous Solubility of Crystalline Druglike MoleculesDavid S Palmer, James L McDonagh, John B O Mitchell, et al.
Pageof 2