Desmarais JK - Search Results

1

Desmarais JK, Erba A, Pan Y, Civalleri B, Tse JS. Desmarais JK, et al. Phys Rev Lett. 2022 Mar 4;128(9):099702. doi: 10.1103/PhysRevLett.128.099702. Phys Rev Lett. 2022. PMID: 35302818 No abstract available.

2

Uptake and speciation of uranium in synthetic gypsum (CaSO₄•2H₂O): Applications to radioactive mine tailings.

Lin J, Sun W, Desmarais J, Chen N, Feng R, Zhang P, Li D, Lieu A, Tse JS, Pan Y. Lin J, et al. J Environ Radioact. 2018 Jan;181:8-17. doi: 10.1016/j.jenvrad.2017.10.010. Epub 2017 Oct 26. J Environ Radioact. 2018. PMID: 29096153

3

Benzoquinone-Bridged Heterocyclic Zwitterions as Building Blocks for Molecular Semiconductors and Metals.

Lekin K, Leitch AA, Assoud A, Yong W, Desmarais J, Tse JS, Desgreniers S, Secco RA, Oakley RT. Lekin K, et al. Inorg Chem. 2018 Apr 16;57(8):4757-4770. doi: 10.1021/acs.inorgchem.8b00485. Epub 2018 Apr 5. Inorg Chem. 2018. PMID: 29620356

4

Fundamental Role of Fock Exchange in Relativistic Density Functional Theory.

Desmarais JK, Flament JP, Erba A. Desmarais JK, et al. J Phys Chem Lett. 2019 Jul 5;10(13):3580-3585. doi: 10.1021/acs.jpclett.9b01401. Epub 2019 Jun 14. J Phys Chem Lett. 2019. PMID: 31188603 Free article.

5

Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories.

Desmarais JK, Flament JP, Erba A. Desmarais JK, et al. J Chem Phys. 2019 Aug 21;151(7):074108. doi: 10.1063/1.5114902. J Chem Phys. 2019. Retraction in: J Chem Phys. 2021 Apr 21;154(15):159901. doi: 10.1063/5.0050834 PMID: 31438689 Free article. Retracted.

6

Spin-orbit coupling from a two-component self-consistent approach. I. Generalized Hartree-Fock theory.

Desmarais JK, Flament JP, Erba A. Desmarais JK, et al. J Chem Phys. 2019 Aug 21;151(7):074107. doi: 10.1063/1.5114901. J Chem Phys. 2019. PMID: 31438694 Free article.

7

Charge Density Analysis of Actinide Compounds from the Quantum Theory of Atoms in Molecules and Crystals.

Cossard A, Desmarais JK, Casassa S, Gatti C, Erba A. Cossard A, et al. Among authors: desmarais jk. J Phys Chem Lett. 2021 Feb 25;12(7):1862-1868. doi: 10.1021/acs.jpclett.1c00100. Epub 2021 Feb 12. J Phys Chem Lett. 2021. PMID: 33577336 Free PMC article.

8

Retraction: "Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories" [J. Chem. Phys. 151, 074108 (2019)].

Desmarais JK, Flament JP, Erba A. Desmarais JK, et al. J Chem Phys. 2021 Apr 21;154(15):159901. doi: 10.1063/5.0050834. J Chem Phys. 2021. PMID: 33887930 No abstract available.

9

Mechanisms for Pressure-Induced Isostructural Phase Transitions in EuO.

Desmarais JK, Erba A, Pan Y, Civalleri B, Tse JS. Desmarais JK, et al. Phys Rev Lett. 2021 May 14;126(19):196404. doi: 10.1103/PhysRevLett.126.196404. Phys Rev Lett. 2021. PMID: 34047588 Free article.

10

⁵⁷Fe Mössbauer isomer shift of pure iron and iron oxides at high pressure-An experimental and theoretical study.

Desmarais JK, Bi W, Zhao J, Hu MH, Alp E, Tse JS. Desmarais JK, et al. J Chem Phys. 2021 Jun 7;154(21):214104. doi: 10.1063/5.0048141. J Chem Phys. 2021. PMID: 34240999

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