V. Brenner

发表

Intermolecular interactions: basis set and intramolecular correlation effects on semiempirical methods. Application to (C2H2)2, (C2H2)3 and (C2H4)2

P. Millié, V. Brenner, Valérie Brenner, 1994 .

Dipole binding: An experimental test for small cluster structure calculations

H. Abdoul-Carime, C. Desfrançois, P. Millié, 1995 .

Infrared study on hydrogen chloride complexed with allene.

V. Brenner, M. Chevalier, M. Broquier, 2010, The Journal of chemical physics.

Spectroscopic evidence for the formation of helical structures in gas-phase short peptide chains.

V. Brenner, F. Piuzzi, M. Mons, 2007, The journal of physical chemistry. A.

Chirality-controlled formation of beta-turn secondary structures in short peptide chains: gas-phase experiment versus quantum chemistry.

V. Brenner, F. Piuzzi, M. Mons, 2007, Angewandte Chemie.

Intramolecular recognition in a jet-cooled short peptide chain: gamma-turn helicity probed by a neighbouring residue.

V. Brenner, F. Piuzzi, E. Gloaguen, 2007, Physical chemistry chemical physics : PCCP.

Effects of complexation with sulfuric acid on the photodissociation of protonated Cinchona alkaloids in the gas phase.

V. Brenner, V. Lepère, D. Scuderi, 2019, Physical chemistry chemical physics : PCCP.

Infrared spectra of C2H4–HCl complex

V. Brenner, M. Chevalier, P. Çarçabal, 2002 .

Selenium in Proteins: Conformational Changes Induced by Se Substitution on Methionine, as Studied in Isolated Model Peptides by Optical Spectroscopy and Quantum Chemistry

V. Brenner, E. Gloaguen, M. Mons, 2022, Molecules.

A theoretical and experimental case study of the hydrogen bonding predilection of S-methylcysteine

J. Baltaze, V. Brenner, K. Le Barbu-Debus, 2021, Amino Acids.

Conformation control through concurrent N-H⋯S and N-H⋯O[double bond, length as m-dash]C hydrogen bonding and hyperconjugation effects.

J. Baltaze, V. Brenner, K. Le Barbu-Debus, 2020, Chemical science.

Electronic Stark Effect in Isolated Ion Pairs.

V. Brenner, V. Vaquero-Vara, E. Gloaguen, 2019, The journal of physical chemistry letters.

Local NH-π interactions involving aromatic residues of proteins: influence of backbone conformation and ππ* excitation on the π H-bond strength, as revealed from studies of isolated model peptides.

V. Brenner, W. Sohn, E. Gloaguen, 2016, Physical chemistry chemical physics : PCCP.

Intrinsic Folding Proclivities in Cyclic β-Peptide Building Blocks: Configuration and Heteroatom Effects Analyzed by Conformer-Selective Spectroscopy and Quantum Chemistry.

V. Brenner, A. Zehnacker-Rentien, D. Aitken, 2015, Chemistry.

Conformational analysis by UV spectroscopy: the decisive contribution of environment-induced electronic Stark effects†

V. Brenner, E. Gloaguen, M. Mons, 2021, Chemical science.

Far/Mid-Infrared Signatures of Solvent–Solute Interactions in a Microhydrated Model Peptide Chain

V. Brenner, M. Cirtog, A. Rijs, 2012 .

Collision-induced dissociation by helium: A piecewise construction of the cross section

J. Mestdagh, J. Dognon, V. Brenner, 2002 .

Energetics of a model NH–π interaction: the gas phase benzene–NH3 complex

P. Millié, V. Brenner, F. Piuzzi, 2002 .

Excited States Computation of Models of Phenylalanine Protein Chains: TD-DFT and Composite CC2/TD-DFT Protocols

V. Brenner, E. Gloaguen, M. Mons, 2022, International journal of molecular sciences.

Theoretical interpretation of the stability of “anomalously” small doubly charged paradifluorobenzene clusters

P. Millié, V. Brenner, C. Jouvet, 1992 .

Direct spectroscopic evidence of hyperconjugation unveils the conformational landscape of hydrazides.

V. Brenner, A. Zehnacker-Rentien, D. Aitken, 2014, Angewandte Chemie.

Exciplexes or ground state complexes of (dibenzoylmethanato)boron difluoride and benzene derivatives? A study of their optical properties revisited via liquid state investigations and structure calculations

V. Brenner, G. Ledoux, T. Tran-thi, 2006, Photochemical and Photobiological Sciences.

Rationalizing the diversity of amide-amide H-bonding in peptides using the natural bond orbital method.

V. Brenner, E. Gloaguen, M. Mons, 2019, Physical chemistry chemical physics : PCCP.

Methanol-acetonitrile complexes trapped in argon and nitrogen matrices: Infrared induced isomerization and theoretical calculations

P. Millié, V. Brenner, J. Perchard, 1999 .

AN EXPERIMENTAL AND THEORETICAL STUDY OF JET-COOLED COMPLEXES OF CHIRAL MOLECULES : THE ROLE OF DISPERSIVE FORCES IN CHIRAL DISCRIMINATION

Valérie Brenner, Ph. Millié, P. Millié, 1998 .

LASER INDUCED FLUORESCENCE OF JET-COOLED NON-CONJUGATED BICHROMOPHORES : BIS-PHENOXYMETHANE AND BIS-2,6-DIMETHYLPHENOXYMETHANE

P. Millié, V. Brenner, A. Zehnacker, 1996 .

CC2 Benchmark for models of phenylalanine protein chains: 0-0 transition energies and IR signatures of the ππ* excited state.

V. Brenner, E. Gloaguen, M. Mons, 2019, Journal of chemical theory and computation.

Low-lying excited states of model proteins: Performances of the CC2 method versus multireference methods.

V. Brenner, D. Maynau, N. Ben Amor, 2018, The Journal of chemical physics.

Spectroscopy, dynamics and structures of jet formed anthracene clusters

P. Millié, V. Brenner, F. Piuzzi, 2002 .

Can we understand the different coordinations and structures of closed‐shell metal cation‐water clusters?

A.-L. Derepas, J.-M. Soudan, Valérie Brenner, 2002, J. Comput. Chem..

Existence of two internal energy distributions in jet-formed van der Waals heteroclusters: example of the anthracene–argonn system

P. Millié, V. Brenner, F. Piuzzi, 1998 .

On the near UV photophysics of a phenylalanine residue: conformation-dependent ππ* state deactivation revealed by laser spectroscopy of isolated neutral dipeptides.

V. Brenner, E. Gloaguen, M. Mons, 2014, Physical chemistry chemical physics : PCCP.

Unraveling the mechanisms of nonradiative deactivation in model peptides following photoexcitation of a phenylalanine residue.

Himansu S. Biswal, V. Brenner, I. Ljubić, 2012, Journal of the American Chemical Society.

Non-radiative relaxation of UV photoexcited phenylalanine residues: probing the role of conical intersections by chemical substitution.

V. Brenner, I. Ljubić, M. Mališ, 2014, Physical chemistry chemical physics : PCCP.

ION-NEUTRAL COMPLEXES OF PROTONATED ALKYLBENZENES : EXPERIMENTAL AND THEORETICAL STUDIES

P. Millié, V. Brenner, G. Ohanessian, 1995 .

[C6H6iso-C3H7+] and [C6H7+C3H6] ion-molecule complexes: theoretical calculations

P. Millié, V. Brenner, G. Ohanessian, 1993 .

Non-covalent interactions reveal the protein chain δ conformation in a flexible single-residue model.

V. Brenner, K. Le Barbu-Debus, A. Zehnacker-Rentien, 2023, Chemical Communications.

Energetics and Structure of Complexes of Al+ with Small Organic Molecules in the Gas Phase

G. Koyanagi, F. Bouchard, V. Brenner, 1997 .

Unimolecular and Bimolecular Reactions of the .beta.-Distonic Ion CH3CH2OH+CH2CH2.bul.: An Experimental and Theoretical Study

V. Brenner, G. Ohanessian, P. Mourgues, 1995 .

DIFFUSION AND CLUSTERING OF N2O MOLECULES IN ARGON CLUSTERS : A THEORETICAL APPROACH BY MOLECULAR DYNAMICS SIMULATIONS

P. Millié, V. Brenner, M. Gaigeot, 1997 .

A simulation of naphthalene matrix isolation : comparison with experiments

B. Bouvier, P. Millié, V. Brenner, 2001 .

Monte Carlo growth method: application to molecular clusters

P. Millié, V. Brenner, J. Maillet, 1997 .

Rovibrational laser jet-cooled spectroscopy of SF6-rare gas complexes in the ν3 region of SF6.

M. Gaveau, V. Brenner, P. Asselin, 2018, Physical chemistry chemical physics : PCCP.

Non-Coulombic states of N24+ and O24+ ions probed by laser-induced multi-ionization of N2 and O2

G. Granucci, L. Quaglia, P. Millié, 2002 .

Evidencing Intermolecular Effects with Core-Level Photoelectron Spectroscopy via the Accurate Density Functional Calculation of Core−Electron Binding Energies on Model Systems: γ-APS as a Test

D. Chong, V. Brenner, P. Viel, 1997 .

Infrared spectra of the C2H2–HCl complexes: An experimental and ab initio study

P. Millié, V. Brenner, M. Chevalier, 2000 .

Ab initio anharmonic intermolecular potential of the C2H2-HCl hydrogen bonded complex

N. Halberstadt, P. Millié, V. Brenner, 2001 .

Electrostatic interactions and hydrogen bond in clusters. Theoretical approach

P. Millie, V. Brenner, P. Millié, 1995 .

Quantum Effects in the Threshold Photoionization and Energetics of the Benzene−H2O and Benzene−D2O Complexes: Experiment and Simulation

Marie-Pierre Gaigeot, Valérie Brenner, P. Millié, 1998 .

On the turn-inducing properties of asparagine: the structuring role of the amide side chain, from isolated model peptides to crystallized proteins.

M. Géléoc, V. Brenner, W. Sohn, 2018, Physical chemistry chemical physics : PCCP.

Theoretical Investigation of Small Alkali Cation−Molecule Clusters: A Model Potential Approach

M. Defranceschi, B. Bouvier, J. Dognon, 2004 .

Identification of ion pairs in solution by IR spectroscopy: crucial contributions of gas phase data and simulations.

V. Brenner, D. Aitken, V. Vaquero-Vara, 2019, Physical chemistry chemical physics : PCCP.

Are lithium hydride clusters purely ionic? Study using model potentials and density-functional theory

P. Millié, V. Brenner, M. Bertolus, 2001 .

Influence of covalence and anion symmetry on the structure of small metal hydroxide clusters: Sodium versus silver hydroxide

P. Millié, V. Brenner, M. Bertolus, 2000 .

SITE DEPENDENCE OF THE BINDING ENERGY OF WATER TO INDOLE : MICROSCOPIC APPROACH TO THE SIDE CHAIN HYDRATION OF TRYPTOPHAN

P. Millié, V. Brenner, F. Piuzzi, 1999 .

Assessment of time-dependent density functional theory for predicting excitation energies of bichromophoric peptides: case of tryptophan-phenylalanine

R. Pollet, V. Brenner, 2008 .

Pump–probe dissociative ionization of NaI and CsI aggregated with CH3CN

D. Stibbe, E. Charron, P. Millié, 2002 .

Photoinduced electron transfer in isolated,jet-cooled molecular systems

P. Millié, V. Brenner, F. Piuzzi, 1997 .

Ion Pair Supramolecular Structure Identified by ATR-FTIR Spectroscopy and Simulations in Explicit Solvent*.

V. Brenner, D. Aitken, Florence Charnay-Pouget, 2021, Chemphyschem : a European journal of chemical physics and physical chemistry.

Gas-Phase Spectroscopic Signatures of Carboxylate-Li(+) Contact Ion Pairs: New Benchmarks For Characterizing Ion Pairing in Solution.

V. Brenner, E. Gloaguen, M. Mons, 2016, The journal of physical chemistry letters.

Molecular dynamics study of the hydration of lanthanum(III) and europium(III) including many-body effects.

J. Dognon, R. Pollet, V. Brenner, 2005, The journal of physical chemistry. B.

Modeling of uranyl cation-water clusters

J. Dognon, P. Millié, V. Brenner, 2003 .

Characterization of Asx-turn types and their connate relationship with β-turns.

V. Brenner, D. Aitken, Florence Charnay-Pouget, 2022, Chemistry.

New model potentials for sulfur–copper(I) and sulfur–mercury(II) interactions in proteins: From ab initio to molecular dynamics

Valérie Brenner, Jean-Pierre Dognon, Serge Crouzy, 2006, J. Comput. Chem..

Characterization of Photoinduced Electron Transfer in Jet-Formed Acceptor Donor Complexes. 2. Photoinduced Electron Transfer: Rates and Mechanisms

P. Millié, V. Brenner, F. Piuzzi, 1998 .

Characterization of Photoinduced Electron Transfer in Jet-Formed Acceptor-Donor Complexes. 1. Isomeric Forms of Complexes of Anthracene with Aniline Derivatives

P. Millié, V. Brenner, F. Piuzzi, 1998 .

Calculated and Experimental Structures of the p-Difluorobenzene-(H2O)n=1-3 Clusters in Their Different Electronic States and Inference for Ionic Nucleophilic Substitution

P. Millié, V. Brenner, C. Jouvet, 1995 .

A new method for deriving atomic charges and dipoles for n, -alkanes: investigation of transferability and geometry dependence

G. Granucci, A. Fuchs, J. Delhommelle, 1999 .

On the near UV photophysics of a phenylalanine residue: conformation-dependent ππ* state deactivation revealed by laser spectroscopy of isolated neutral dipeptides.

V. Brenner, E. Gloaguen, M. Mons, 2014, Physical chemistry chemical physics : PCCP.

Can we rationalize the structure of small silicon-carbon clusters?

P. Millié, V. Brenner, M. Bertolus, 1998 .

Secondary Structures in Phe-Containing Isolated Dipeptide Chains: Laser Spectroscopy vs Quantum Chemistry.

V. Brenner, V. Vaquero-Vara, E. Gloaguen, 2015, Journal of Physical Chemistry A.

Length-Dependent Transition from Extended to Folded Shapes in Short Oligomers of an Azetidine-Based α-Amino Acid: The Critical Role of NH···N H-Bonds

V. Brenner, S. Robin, D. Aitken, 2023, Molecules.

An intraresidue H-bonding motif in selenocysteine and cysteine, revealed by gas phase laser spectroscopy and quantum chemistry calculations.

V. Brenner, E. Gloaguen, M. Mons, 2020, Physical chemistry chemical physics : PCCP.

Intrinsic folding of the cysteine residue: competition between folded and extended forms mediated by the -SH group.

J. Alonso, V. Brenner, C. Cabezas, 2020, Physical chemistry chemical physics : PCCP.