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Physical Chemistry

Working Paper

XDM-Corrected Hybrid DFT with Numerical Atomic Orbitals Predicts Molecular Crystal Lattice Energies with Unprecedented Accuracy

Alastair Price, Alberto Otero-de-la-Roza, Erin Johnson

167

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Theoretical and Computational Chemistry

Working Paper

Are Dispersion Corrections Accurate Outside Equilibrium? A Case Study on Benzene

Tim Gould, Erin R. Johnson, Sherif Abdulkader Tawfik

918

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Inorganic Chemistry

Working Paper

Dispersion stabilizes metal-metal bonds in the 1,8-bis(silylamido)naphthalene ligand environment

Nicholas Roberts, Erin Johnson, Saurabh Chitnis

208

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Theoretical and Computational Chemistry

Review

DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science

Andrew Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Balint Aradi, Alexei Arbuznikov, Paul Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cances, Emily Carter, Pratim Chattaraj, Henry Chermette, Ilaria Ciofini, Daniel Crawford, Frank De Proft, John Dobson, Caludia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Laura Gagliardi, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas Gidopoulous, Peter Gill, Paola Gori-Giorgi, Andreas Gorling, TIm Gould, Stefan Grimme, Oleg Gritsenko, Hans Jorgen Jensen, Erin Johnson, Robert Jones, Martin Kaupp, Andreas Koster, Leeor Kronik, Anna Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-Francois Loos, Neepa Maitra, Frank Neese, John Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor Staroverov, Jianwei Sun, Erik Tellgren, David Tozer, Sam Trickey, Carsten Ullrich, Alberto Vela, Giovanni Vignale, Tomasz Wesolowski, Xin Xu, Weitao Yang

4,647

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1

Citations

Nanoscience

Working Paper

A Neural Network Potential with Rigorous Treatment of Long-Range Dispersion

Tu Nguyen Thien Phuc, Nazanin Rezajooei, Erin Johnson, Christopher Rowley

738

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Physical Chemistry

Working Paper

Accurate and Efficient Polymorph Energy Ranking with XDM-corrected hybrid DFT

Alastair Price, R. Alex Mayo, Alberto Otero de la Roza, Erin Johnson

139

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Organic Chemistry

Working Paper

Novel copolymers of vinyl acetate. 4. Halogen ring-substituted ethyl 2-cyano-3-phenyl-2-propenoates

Benjamin Y. Killam, Rebecca J. Amend, Margaret A. Budz, Ashley B. Collins, Shannon M. Hinz, Amanda C. Johnson, Lesli N. Kibler, Sirena Z. Salem, British A. Scott, Irene Skukan, Erin K. Staunton, Katherine J. Sweeney, Andrew Strang, Rhiannon E. Tennant, Daniel Weber, Ayesha Z. Worsham, Gregory B Kharas

123

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Inorganic Chemistry

Working Paper

Hydrostibination of Alkynes: A Radical Mechanism

Josh MacMillan, Katherine Marczenko, Erin Johnson, Saurabh Chitnis

419

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Materials Science

Working Paper

Computational Screening of Organic Semiconductors: Exploring Side-Group Functionalisation and Assembly to Optimise Charge Transport in Chiral Molecules

Julia A. Schmidt, Joseph A. Weatherby, Isaac Sugden, Alejandro Santana-Bonilla, Francesco Salerno, Matthew Fuchter, Erin Johnson, Jenny Nelson, Kim Jelfs

940

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Theoretical and Computational Chemistry

Working Paper

Evaluating the London Dispersion Coefficients of Protein Force Fields Using the Exchange-Hole Dipole Moment Model

Evan T. Walters, Mohamad Mohebifar, Erin R. Johnson, Christopher Rowley

1,007

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Refine Search

13 results in Erin Johnson in Authors: Erin Johnson

XDM-Corrected Hybrid DFT with Numerical Atomic Orbitals Predicts Molecular Crystal Lattice Energies with Unprecedented Accuracy

Are Dispersion Corrections Accurate Outside Equilibrium? A Case Study on Benzene

Dispersion stabilizes metal-metal bonds in the 1,8-bis(silylamido)naphthalene ligand environment

DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science

A Neural Network Potential with Rigorous Treatment of Long-Range Dispersion

Accurate and Efficient Polymorph Energy Ranking with XDM-corrected hybrid DFT

Novel copolymers of vinyl acetate. 4. Halogen ring-substituted ethyl 2-cyano-3-phenyl-2-propenoates

Hydrostibination of Alkynes: A Radical Mechanism

Computational Screening of Organic Semiconductors: Exploring Side-Group Functionalisation and Assembly to Optimise Charge Transport in Chiral Molecules

Evaluating the London Dispersion Coefficients of Protein Force Fields Using the Exchange-Hole Dipole Moment Model

13 results in Authors: Erin Johnson