Influence of Triplet Instabilities in TDDFT
Peach, Michael J. G, Williamson, Matthew J, Tozer, David J
Published in Journal of chemical theory and computation (08.11.2011)
Published in Journal of chemical theory and computation (08.11.2011)
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Journal Article
Fractional Electron Loss in Approximate DFT and Hartree–Fock Theory
Peach, Michael J. G, Teale, Andrew M, Helgaker, Trygve, Tozer, David J
Published in Journal of chemical theory and computation (10.11.2015)
Published in Journal of chemical theory and computation (10.11.2015)
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Journal Article
Structural and Electronic Properties of Polyacetylene and Polyyne from Hybrid and Coulomb-Attenuated Density Functionals
Peach, Michael J. G, Tellgren, Erik I, Sałek, Paweł, Helgaker, Trygve, Tozer, David J
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.11.2007)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.11.2007)
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Journal Article
Influence of Coulomb-attenuation on exchange-correlation functional quality
Peach, Michael J G, Cohen, Aron J, Tozer, David J
Published in Physical chemistry chemical physics : PCCP (01.01.2006)
Published in Physical chemistry chemical physics : PCCP (01.01.2006)
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Journal Article
Density functional theory and its applications
Tozer, David J, Peach, Michael J. G
Published in Physical chemistry chemical physics : PCCP (28.07.2014)
Published in Physical chemistry chemical physics : PCCP (28.07.2014)
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Journal Article
Excitation energies in density functional theory: an evaluation and a diagnostic test
Peach, Michael J G, Benfield, Peter, Helgaker, Trygve, Tozer, David J
Published in The Journal of chemical physics (28.01.2008)
Published in The Journal of chemical physics (28.01.2008)
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Journal Article
Syntheses, Structures, and Comparison of the Photophysical Properties of Cyclometalated Iridium Complexes Containing the Isomeric 1- and 2‑(2′-pyridyl)pyrene Ligands
Edkins, Robert M, Fucke, Katharina, Peach, Michael J. G, Crawford, Andrew G, Marder, Todd B, Beeby, Andrew
Published in Inorganic chemistry (03.09.2013)
Published in Inorganic chemistry (03.09.2013)
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Journal Article
Shielding Constants and Chemical Shifts in DFT: Influence of Optimized Effective Potential and Coulomb-Attenuation
Peach, Michael J. G, Kattirtzi, John A, Teale, Andrew M, Tozer, David J
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.07.2010)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.07.2010)
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Journal Article
Anhydrous Proton Conduction Through a Chemically Robust Electrolyte Enabling a High‐Temperature Non‐Precious Metal Catalyzed Fuel Cell
Zou, Junyan, Zhao, Yu, Mollart, Catherine, Peach, Michael J G, Fayon, Pierre, Heasman, Patrick, Fletcher, Peter A T J, Xu, Jinchang, Liang, Wanli, Trewin, Abbie, Ben, Teng
Published in Small (Weinheim an der Bergstrasse, Germany) (01.04.2024)
Published in Small (Weinheim an der Bergstrasse, Germany) (01.04.2024)
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Journal Article