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List of works by Jean-Pierre Dognon

A Predicted Organometallic Series Following a 32-Electron Principle: An@C28(An = Th, Pa+, U2+, Pu4+)

scientific article published on 01 January 2009

A new, centered 32-electron system: the predicted [U@Si20]6−-like isoelectronic series

Ab Initio Extension of the AMOEBA Polarizable Force Field to Fe(2.).

scientific article published on 19 June 2013

Accurate pH Sensing using Hyperpolarized 129 Xe NMR Spectroscopy

scientific article published on 16 April 2018

An isolated CO2 adduct of a nitrogen base: crystal and electronic structures

scientific article published on 01 May 2010

Calculated lanthanide contractions for molecular trihalides and fully hydrated ions: The contributions from relativity and 4f-shell hybridization

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

scientific article published on 01 July 2002

Chemical properties of the predicted 32-electron systems Pu@Sn12 and Pu@Pb12

Chemistry of the 5g Elements: Relativistic Calculations on Hexafluorides.

scientific article published on 26 April 2017

Design and synthesis of new cryptophanes with intermediate cavity sizes

scientific article

Electronic spectrum of tryptophan-phenylalanine. A correlated ab initio and time-dependent density functional theory study.

scientific article published in December 2009

Finite Temperature Infrared Spectra from Polarizable Molecular Dynamics Simulations

scientific article published on 01 August 2014

Gas phase formation of a 3(10)-helix in a three-residue peptide chain: role of side chain-backbone interactions as evidenced by IR-UV double resonance experiments.

scientific article published in August 2005

Gas-phase models of gamma turns: effect of side-chain/backbone interactions investigated by IR/UV spectroscopy and quantum chemistry.

scientific article published in August 2005

Gd(III) Polyaminocarboxylate Chelate: Realistic Many-Body Molecular Dynamics Simulations for Molecular Imaging Applications

scientific article published on 01 July 2006

Hydration Gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics

scientific article published on 9 October 2014

Molecular Dynamics Study of the Hydration of Lanthanum(III) and Europium(III) Including Many-Body Effects

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

scientific article published in May 2006

Quantum chemical study of the photocoloration reaction in the napthoxazine series

scientific article published on 01 April 2006

Revisiting the chemistry of the actinocenes [(η8-C8H8)2An] (An = U, Th) with neutral Lewis bases. Access to the bent sandwich complexes [(η8-C8H8)2An(L)] with thorium (L = py, 4,4'-bipy, tBuNC, R4phen).

scientific article

Sterically congested uranyl complexes with seven-coordination of the UO2 unit: the peculiar ligation mode of nitrate in [UO2(NO3)2(Rbtp)] complexes.

scientific article published on 27 June 2008

The gas-phase dipeptide analogue acetyl-phenylalanyl-amide: a model for the study of side chain/backbone interactions in proteins

scientific article published on 01 June 2005

Theoretical study of the hydrated Gd3+ ion: structure, dynamics, and charge transfer.

scientific article

Toward the limits of sandwich immunoassay of very low molecular weight molecules.

scientific article published in March 2010

Towards a 32-Electron Principle: Pu@Pb12 and Related Systems

scientific article published on 01 January 2007

Ultrasoft pseudopotentials for lanthanide solvation complexes: Core or valence character of the 4f electrons

scientific article published on 01 April 2006

Understanding a host-guest model system through ¹²⁹Xe NMR spectroscopic experiments and theoretical studies

scientific article

Vibrational mode assignment of finite temperature infrared spectra using the AMOEBA polarizable force field

scientific article published on 01 October 2015

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