Publications by authors named "B Tardivel"

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Excited States Computation of Models of Phenylalanine Protein Chains: TD-DFT and Composite CC2/TD-DFT Protocols.
Marine Lebel, Thibaut Very, Eric Gloaguen, Benjamin Tardivel, Michel Mons

Int J Mol Sci· January 2022

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An intraresidue H-bonding motif in selenocysteine and cysteine, revealed by gas phase laser spectroscopy and quantum chemistry calculations.
Gildas Goldsztejn, Venkateswara Rao Mundlapati, Jérémy Donon, Benjamin Tardivel, Eric Gloaguen

Phys Chem Chem Phys· September 2020

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CC2 Benchmark for Models of Phenylalanine Protein Chains: 0-0 Transition Energies and IR Signatures of the ππ* Excited State.
Mi-Song Dupuy, Eric Gloaguen, Benjamin Tardivel, Michel Mons, Valérie Brenner

J Chem Theory Comput· January 2020

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Identification of ion pairs in solution by IR spectroscopy: crucial contributions of gas phase data and simulations.
Sana Habka, Thibaut Very, Jeremy Donon, Vanesa Vaquero-Vara, Benjamin Tardivel

Phys Chem Chem Phys· June 2019

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On the turn-inducing properties of asparagine: the structuring role of the amide side chain, from isolated model peptides to crystallized proteins.
S Habka, W Y Sohn, V Vaquero-Vara, M Géléoc, B Tardivel

Phys Chem Chem Phys· January 2018

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