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Organometallic Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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Carine Clavaguera

5 results in Authors: Carine Clavaguera

Theoretical and Computational Chemistry

Vibrational circular dichroism spectroscopy with a classical polarizable force field: alanine in the gas and condensed phases

Jessica Bowles, Sascha Jähnigen, Federica Agostini, Rodolphe Vuilleumier, Anne Zehnacker, Florent Calvo, Carine Clavaguera

Version 2 posted 21 December 2023

290

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Organometallic Chemistry

Structure and Bonding Patterns in Heterometallic Organometallics with Short and Rare Ln-Pd Distances

Valeriu Cemortan, Thomas Simler, Jules Moutet, Arnaud Jaoul, Carine Clavaguera, Gregory Nocton

Version 1 posted 31 October 2022

198

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Organometallic Chemistry

Bis-cyclooctatetraenyl Thulium(II): Highly Reducing Lanthanide Sandwich Single Molecule Magnets

Jules Moutet, jules Schleinitz, Leo La Droitte, Maxime Tricoire, Frédéric Gendron, Thomas Simler, Carine Clavaguéra, Boris Le Guennic, Olivier Cador, Gregory Nocton

Version 1 posted 21 May 2020

860

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Physical Chemistry

Influence of the environment on the infrared spectrum of alanine: an effective modes analysis

Jessica Bowles, Sascha Jähnigen, Rodolphe Vuilleumier, Florent Calvo, Carine Clavaguéra, Federica Agostini

Version 2 posted 06 February 2024

238

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Physical Chemistry

A consistent picture of phosphate–divalent cation binding from models with implicit and explicit electronic polarization

Julie Puyo, Marie Juillé, Jérôme Hénin, Carine Clavaguéra, Elise Duboué-Dijon

Version 2 posted 27 April 2022

414

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