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Academic Journal

Coordination and thermodynamic properties of aqueous protactinium(V) by first-principle calculations

Subjects: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

  • Source: ISSN: 1463-9076.

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Academic Journal

In vivo stability of 211 At-radiopharmaceuticals: on the impact of halogen bond formation

Subjects: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

  • Source: EISSN: 2632-8682 ; RSC Medicinal Chemistry ; https://laas.hal.science/hal-04304417 ; RSC Medicinal Chemistry, 2023, 15, pp.223-233.

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Academic Journal

Electrochemical co-deposition of Ni–Gd$_2$O$-3$ for composite thin targets preparation: Production of $^{155}$Tb as a case study

Subjects: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry; [CHIM.THER]Chemical Sciences/Medicinal Chemistry; [CHIM.RADIO]Chemical Sciences/Radiochemistry

  • Source: ISSN: 0969-8043 ; Applied Radiation and Isotopes ; https://hal.science/hal-03672233 ; Applied Radiation and Isotopes, 2022, 186, pp.110287. ⟨10.1016/j.apradiso.2022.110287⟩.

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Academic Journal

Antisymmetric Exchange in a Real Copper Triangular Complex

Subjects: [CHIM.COOR]Chemical Sciences/Coordination chemistry; [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

  • Source: ISSN: 0020-1669.

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Academic Journal

Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding

Subjects: halogen-bond interactions; spin-orbit coupling; charge-shift bonds

  • Source: ISSN: 1420-3049 ; Molecules ; https://nantes-universite.hal.science/hal-03346537 ; Molecules, 2021, 26 (15), pp.4568. ⟨10.3390/molecules26154568⟩.

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Academic Journal

An expanded halogen bonding scale using astatine

Subjects: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry; [CHIM.COOR]Chemical Sciences/Coordination chemistry

  • Source: ISSN: 2041-6520.

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Academic Journal

Theoretical radiochemistry as an essential component of molecular radiochemistry ; La radiochimie théorique comme composante essentielle de la radiochimie moléculaire ; Theoretical radiochemistry as an essential component of molecular radiochemistry: from the interpretation to the prediction of experiments ; La radiochimie théorique comme composante essentielle de la radiochimie moléculaire: De l’interprétation à la prédiction des expériences

Subjects: Radiochemistry; theory; methods

  • Source: ISSN: 0151-9093.

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Academic Journal

How to create giant Dzyaloshinskii–Moriya interactions? Analytical derivation and ab initio calculations on model dicopper(II) complexes

Subjects: [CHIM.COOR]Chemical Sciences/Coordination chemistry; [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

  • Source: J.Chem.Phys. ; https://hal.science/hal-03191170 ; J.Chem.Phys., 2021, 154 (13), pp.134301. ⟨10.1063/5.0045569⟩

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Academic Journal

Delocalized relativistic effects, from the viewpoint of halogen bonding

Subjects: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

  • Source: Phys.Chem.Chem.Phys. ; https://hal.science/hal-03178510 ; Phys.Chem.Chem.Phys., 2021, 23 (7), pp.4064-4074. ⟨10.1039/D0CP05840H⟩

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Academic Journal

Controlling Cation-Cation Interactions in Uranyl Coordination Dimers by Varying the Length of the Dicarboxylate Linker

Subjects: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

  • Source: ISSN: 1434-1948.

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  • 1-10 of  59 results for ""[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry""