Cheap and Near Exact CASSCF with Large Active Spaces
Smith, James E. T, Mussard, Bastien, Holmes, Adam A, Sharma, Sandeep
Published in Journal of chemical theory and computation (14.11.2017)
Published in Journal of chemical theory and computation (14.11.2017)
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Journal Article
The electronic spectrum of cryogenic ruthenium-tris-bipyridine dications in vacuo
Xu, Shuang, Smith, James E T, Weber, J Mathias
Published in The Journal of chemical physics (14.07.2016)
Published in The Journal of chemical physics (14.07.2016)
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Journal Article
Electronic Spectra of Tris(2,2′-bipyridine)-M(II) Complex Ions in Vacuo (M = Fe and Os)
Xu, Shuang, Smith, James E. T, Gozem, Samer, Krylov, Anna I, Weber, J. Mathias
Published in Inorganic chemistry (19.06.2017)
Published in Inorganic chemistry (19.06.2017)
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Journal Article
Hydration of a Binding Site with Restricted Solvent Access: Solvatochromic Shift of the Electronic Spectrum of a Ruthenium Polypyridine Complex, One Molecule at a Time
Xu, Shuang, Smith, James E. T, Weber, J. Mathias
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.10.2016)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.10.2016)
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Journal Article
Ligand Influence on the Electronic Spectra of Dicationic Ruthenium-Bipyridine-Terpyridine Complexes
Xu, Shuang, Smith, James E. T, Weber, J. Mathias
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.04.2016)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.04.2016)
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Journal Article
Volatile Etch Species Produced during Thermal Al2O3 Atomic Layer Etching
Clancey, Joel W, Cavanagh, Andrew S, Smith, James E. T, Sharma, Sandeep, George, Steven M
Published in Journal of physical chemistry. C (09.01.2020)
Published in Journal of physical chemistry. C (09.01.2020)
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Journal Article
Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification
Greene, Samuel M., Webber, Robert J., Smith, James E. T., Weare, Jonathan, Berkelbach, Timothy C.
Published in Journal of chemical theory and computation (13.12.2022)
Published in Journal of chemical theory and computation (13.12.2022)
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Journal Article