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Academic Journal

A density-fitting implementation of the density-based basis-set correction method

Authors : Hesselmann, Andreas; Giner, Emmanuel; Reinhardt, Peter ...

Subjects: basis-set convergence; Møller-Plesset perturbation theory; density-functional theory

Source: ISSN: 0192-8651.

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Academic Journal

Calculation of emission spectra of lithium compounds

Authors : Hassebi, Khalil; Le Guen, Karine; Rividi, Nicolas ...

Subjects: Lithium; x-ray emission spectroscopy; density functional theory

Source: ISSN: 0049-8246.

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Academic Journal

On the One‐Dimensional Transition State Theory and the Relation between Statistical and Deterministic Oscillation Frequencies of Anharmonic Energy Wells

Authors : Giordano, Stefano; Cleri, Fabrizio; Blossey, Ralf ...

Subjects: [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]; [PHYS.COND.CM-SM]Physics [physics]/Condensed Matter [cond-mat]/Statistical Mechanics [cond-mat.stat-mech]

Source: ISSN: 0003-3804.

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Academic Journal

Electrochemical reduction of quinones in ethaline chosen as an example of deep eutectic solvent

Authors : Zhen, Fangchen; Hapiot, Philippe;

Subjects: [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]

Source: ISSN: 2698-5977 ; Electrochemical Science Advances ; https://univ-rennes.hal.science/hal-03823032 ; Electrochemical Science Advances, 2023, 3 (3), pp.e2100148. ⟨10.1002/elsa.202100148⟩.

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Academic Journal

In2S3 Growth Templated by Aluminogermanate Double‐Walled Imogolite Nanotubes Toward Efficient Visible Light Photocatalysts

Authors : Jatav, Sanjay; Xiang, Hongxiao; Herber, Marcel ...

Subjects: clays; imogolite; In2S3

Source: ISSN: 2367-198X ; Solar RRL ; https://hal.science/hal-04234799 ; Solar RRL, 2023, 7 (4), pp.2200947. ⟨10.1002/solr.202200947⟩.

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Academic Journal

Precipitation of cerianite crystals and its effect on the rheology of a simplified nuclear glass melt

Authors : Jiusti, Jeanini; Regnier, Elise; Machado, Norma Maria ...

Subjects: conditioning; crystallization; viscosity

Source: ISSN: 2041-1286.

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Academic Journal

Organic–Inorganic Hybrid Interfaces for Spin Injection into Carbon Nanotubes and Graphene

Authors : Martin, Pascal; Dlubak, Bruno; Seneor, Pierre ...

Subjects: [PHYS.COND.CM-MSQHE]Physics [physics]/Condensed Matter [cond-mat]/Mesoscopic Systems and Quantum Hall Effect [cond-mat.mes-hall]; [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry; [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]

Source: ISSN: 2511-9044 ; Advanced Quantum Technologies ; https://hal.science/hal-03646916 ; Advanced Quantum Technologies, 2022, pp.2100166. ⟨10.1002/qute.202100166⟩.

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Academic Journal

A roadmap to high‐resolution standard microcoil MAS NMR spectroscopy for metabolomics

Authors : Wong, Alan;

Subjects: Microcoils; Magic angle spinning MAS; high resolution

Source: ISSN: 0952-3480.

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Academic Journal

Stability of Pt10Sn3 Clusters Supported on γ−Al2O3 in Oxidizing Environment: a DFT Comparison of Alloying and Size Effects

Authors : Shahrokhi, Masoud; Chizallet, Céline; Loffreda, David ...

Subjects: DFT calculation; size effect; clusters

Source: ISSN: 1867-3899 ; ChemCatChem ; https://hal.archives-ouvertes.fr/hal-03824541 ; ChemCatChem, In press, ⟨10.1002/cctc.202201089⟩.

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Academic Journal

Microfluidic Device for Monitoring Catalytic Events on Armored Bubbles

Authors : Dedovets, Dmytro; Zhang, Shi; Leng, Jacques ...

Subjects: microfluidics; Pickering foam; catalysis

Source: ISSN: 2196-7350 ; Advanced Materials Interfaces ; https://hal.science/hal-03694980 ; Advanced Materials Interfaces, In press.

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