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  • 1-6 of  6 نتائج ل ""Computational chemistry""

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Collection : Universite De Nantes فلترة بواسطة : موضوع
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Academic Journal

Electrophilic and nucleophilic gas phase reactivity of the Janus cluster-based anions [{Mo 6 Cl 8 }Cl 5 □] − (□ = lacuna)

Subjects: mass spectrometry; electrophilic anion; nucleophilic anion

  • Source: ISSN: 1359-7345.

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Academic Journal

Charge transfer from the carotenoid can quench chlorophyll excitation in antenna complexes of plants

Subjects: Bioenergetics; Computational chemistry; Molecular dynamics

  • Source: ISSN: 2041-1723.

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Academic Journal

Quantum‐Chemical Study of the FeNCN Conversion‐Reaction Mechanism in Lithium‐ and Sodium‐Ion Batteries

Subjects: Computational chemistry; Carbodiimides; Batteries

  • Source: ISSN: 1433-7851.

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Academic Journal

A Versatile and Efficient Voxelization-Based Meshing Algorithm of Multiple Phases

Subjects: Voxelization; Mesh; Computational chemistry

  • Source: ISSN: 2470-1343 ; ACS Omega ; https://hal.science/hal-03105056 ; ACS Omega, 2019, 4 (6), pp.11141-11144. ⟨10.1021/acsomega.9b01279⟩.

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Academic Journal

Insights into Li+ , Na+ , and K+ Intercalation in Lepidocrocite-Type Layered TiO 2 Structures

Subjects: computational chemistry; electrode materials; ion intercalation

  • Source: ISSN: 2574-0962 ; ACS Applied Energy Materials ; https://hal.sorbonne-universite.fr/hal-01920966 ; ACS Applied Energy Materials, 2018, 1 (5), pp.2078 - 2086. ⟨10.1021/acsaem.8b00170⟩.

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Conference

Lattice Vector Quantization for the Analysis of Molecular Data.

Subjects: computational chemistry; electron density; tree-structureCluj-Napoca; Romania

  • Source: Proceedings of Signal Processing and Applied Mathemathematics for Electronics and Communications (SPAMEC) ; Signal Processing and Applied Mathemathematics for Electronics and Communications (SPAMEC).

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  • 1-6 of  6 نتائج ل ""Computational chemistry""