The Molpro quantum chemistry package
Werner, Hans-Joachim, Knowles, Peter J, Manby, Frederick R, Black, Joshua A, Doll, Klaus, Heßelmann, Andreas, Kats, Daniel, Köhn, Andreas, Korona, Tatiana, Kreplin, David A, Ma, Qianli, Miller, 3rd, Thomas F, Mitrushchenkov, Alexander, Peterson, Kirk A, Polyak, Iakov, Rauhut, Guntram, Sibaev, Marat
Published in The Journal of chemical physics (14.04.2020)
Published in The Journal of chemical physics (14.04.2020)
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Journal Article
One-particle many-body Green's function theory: Algebraic recursive definitions, linked-diagram theorem, irreducible-diagram theorem, and general-order algorithms
Hirata, So, Doran, Alexander E, Knowles, Peter J, Ortiz, J V
Published in The Journal of chemical physics (28.07.2017)
Published in The Journal of chemical physics (28.07.2017)
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Journal Article
Polaritonic effects in the vibronic spectrum of molecules in an optical cavity
Vidal, Marta L., Manby, Frederick R., Knowles, Peter J.
Published in The Journal of chemical physics (28.05.2022)
Published in The Journal of chemical physics (28.05.2022)
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Journal Article
Alkyl Groups in Organic Molecules are NOT Inductively Electron-Releasing
Elliott, Mark, Hughes, Colan E, Knowles, Peter James, Ward, Benjamin D.
Published in Organic & biomolecular chemistry (15.11.2024)
Published in Organic & biomolecular chemistry (15.11.2024)
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Journal Article
An Extended Computational Study of Criegee Intermediate–Alcohol Reactions
Watson, Nathan A. I, Black, Joshua A, Stonelake, Thomas M, Knowles, Peter J, Beames, Joseph M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.01.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.01.2019)
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Journal Article
Nicholas A. Besley (1972-2021)
Hirst, Jonathan D., Teale, Andrew M., Stace, Anthony J., Knowles, Peter J.
Published in Molecular physics (18.04.2023)
Published in Molecular physics (18.04.2023)
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Journal Article