Exact-Two-Component Relativistic Multireference Second-Order Perturbation Theory
Lu, Lixin, Hu, Hang, Jenkins, Andrew J., Li, Xiaosong
Published in Journal of chemical theory and computation (10.05.2022)
Published in Journal of chemical theory and computation (10.05.2022)
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Journal Article
Improving One-Electron Exact-Two-Component Relativistic Methods with the Dirac–Coulomb–Breit-Parameterized Effective Spin–Orbit Coupling
Ehrman, Jordan, Martinez-Baez, Ernesto, Jenkins, Andrew J., Li, Xiaosong
Published in Journal of chemical theory and computation (12.09.2023)
Published in Journal of chemical theory and computation (12.09.2023)
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Journal Article
Two-Component Multireference Restricted Active Space Configuration Interaction for the Computation of L‑Edge X‑ray Absorption Spectra
Jenkins, Andrew J, Hu, Hang, Lu, Lixin, Frisch, Michael J, Li, Xiaosong
Published in Journal of chemical theory and computation (11.01.2022)
Published in Journal of chemical theory and computation (11.01.2022)
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Journal Article
Crowdsourcing a Collective Sense of Place
Jenkins, Andrew, Croitoru, Arie, Crooks, Andrew T, Stefanidis, Anthony
Published in PloS one (06.04.2016)
Published in PloS one (06.04.2016)
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Journal Article
Comparison of Variational and Perturbative Spin–Orbit Coupling within Two-Component CASSCF
Liao, Can, Hoyer, Chad E., Banerjee Ghosh, Rahoul, Jenkins, Andrew J., Knecht, Stefan, Frisch, Michael J., Li, Xiaosong
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.03.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.03.2024)
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Journal Article
The “Hole” Story in Ionized Water from the Perspective of Ehrenfest Dynamics
Lu, Lixin, Wildman, Andrew, Jenkins, Andrew J, Young, Linda, Clark, Aurora E, Li, Xiaosong
Published in The journal of physical chemistry letters (19.11.2020)
Published in The journal of physical chemistry letters (19.11.2020)
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Journal Article
Coherent Mixing of Singlet and Triplet States in Acrolein and Ketene: A Computational Strategy for Simulating the Electron–Nuclear Dynamics of Intersystem Crossing
Danilov, Don, Jenkins, Andrew J, Bearpark, Michael J, Worth, Graham A, Robb, Michael A
Published in The journal of physical chemistry letters (06.07.2023)
Published in The journal of physical chemistry letters (06.07.2023)
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Journal Article
De novo variants in GABRA2 and GABRA5 alter receptor function and contribute to early-onset epilepsy
Butler, Kameryn M, Moody, Olivia A, Schuler, Elisabeth, Coryell, Jason, Alexander, John J, Jenkins, Andrew, Escayg, Andrew
Published in Brain (London, England : 1878) (01.08.2018)
Published in Brain (London, England : 1878) (01.08.2018)
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The influence of a second ground electrode on hydrogen peroxide production from an atmospheric pressure argon plasma jet and correlation to antibacterial efficacy and mammalian cell cytotoxicity
Ghimire, Bhagirath, Patenall, Bethany L, Szili, Endre J, Gaur, Nishtha, Lamichhane, Pradeep, Thet, Naing T, Trivedi, Dhruv, Jenkins, Andrew Toby A, Short, Robert D
Published in Journal of physics. D, Applied physics (24.03.2022)
Published in Journal of physics. D, Applied physics (24.03.2022)
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Journal Article
Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations
Jenkins, Andrew J, Vacher, Morgane, Bearpark, Michael J, Robb, Michael A
Published in The Journal of chemical physics (14.03.2016)
Published in The Journal of chemical physics (14.03.2016)
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