Publications by authors named "Jacques Lievin"

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E
Equilibrium Values for the Si-H Bond Length and Equilibrium Structures of Silyl Iodide and Halosilylenes.
Jean Demaison, Jacques Liévin

Molecules· June 2024

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Reactivity of Hydrated Hydroxide Anion Clusters with H and Rb: An ab Initio Study.
Milaim Kas, Jérôme Loreau, Jacques Liévin, Nathalie Vaeck

J Phys Chem A· October 2019

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Vibronic structure of the cyanobutadiyne cation. II. Theoretical exploration of the complex energy landscape of HCN.
Bérenger Gans, Séverine Boyé-Péronne, Jacques Liévin

J Chem Phys· June 2019

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Vibronic structure of the cyanobutadiyne cation. I. VUV photoionization study of HCN.
Bérenger Gans, Nicolas Lamarre, Jean-Claude Guillemin, Stéphane Douin, Christian Alcaraz

J Chem Phys· June 2019

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Experimental and theoretical investigations of HO-Ar.
Thomas Vanfleteren, Tomas Földes, Michel Herman, Jacques Liévin, Jérôme Loreau

J Chem Phys· July 2017

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Ab initio study of the neutral and anionic alkali and alkaline earth hydroxides: Electronic structure and prospects for sympathetic cooling of OH.
Milaim Kas, Jérôme Loreau, Jacques Liévin, Nathalie Vaeck

J Chem Phys· May 2017

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Experimental and ab initio characterization of HCN vibronic structure. II. High-resolution VUV PFI-ZEKE spectroscopy.
Bérenger Gans, Nicolas Lamarre, Michel Broquier, Jacques Liévin, Séverine Boyé-Péronne

J Chem Phys· December 2016

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Experimental and ab initio characterization of HCN vibronic structure. I. Synchrotron-based threshold photo-electron spectroscopy.
Antoine Desrier, Claire Romanzin, Nicolas Lamarre, Christian Alcaraz, Bérenger Gans

J Chem Phys· December 2016

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Ab initio study of reactive collisions between Rb((2)S) or Rb((2)P) and OH(-)((1)Σ(+)).
Milaim Kas, Jérôme Loreau, Jacques Liévin, Nathalie Vaeck

J Chem Phys· May 2016

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Sequence dependence of electron-induced DNA strand breakage revealed by DNA nanoarrays.
Adrian Keller, Jenny Rackwitz, Emilie Cauët, Jacques Liévin, Thomas Körzdörfer

Sci Rep· December 2014

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Theoretical description of electronically excited vinylidene up to 10 eV: first high level ab initio study of singlet valence and Rydberg states.
Séverine Boyé-Péronne, Dolores Gauyacq, Jacques Liévin

J Chem Phys· November 2014

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Ab initio intermolecular potential of Ar-C2H2 refined using high-resolution spectroscopic data.
Clément Lauzin, Laurent H Coudert, Michel Herman, Jacques Liévin

J Phys Chem A· December 2013

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Electron-attachment-induced DNA damage: instantaneous strand breaks.
Emilie Cauët, Stuart Bogatko, Jacques Liévin, Frank De Proft, Paul Geerlings

J Phys Chem B· August 2013

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Determination of the ground electronic state in transition metal halides: ZrF.
Satchin Soorkia, Niloufar Shafizadeh, Jacques Liévin, Marc-André Gaveau, Christophe Pothier

J Phys Chem A· September 2011

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Conformations consistent with charge migration observed in DNA and RNA X-ray structures.
Marianne Rooman, Emilie Cauët, Jacques Liévin, René Wintjens

J Biomol Struct Dyn· June 2011

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The search for a deterministic origin for the presence of nonracemic amino-acids in meteorites: a computational approach.
Sophie Vandenbussche, Jacques Reisse, Kristin Bartik, Jacques Lievin

Chirality· May 2011

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Revisiting Mulliken's concepts about Rydberg states and Rydberg-valence interactions from large-scale Ab initio calculations on the acetylene molecule.
Fabrice Laruelle, Séverine Boyé-Péronne, Dolores Gauyacq, Jacques Liévin

J Phys Chem A· November 2009

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Ab initio study of the electron transfer in an ionized stacked complex of guanines.
Emilie Cauët, Jacques Liévin

J Phys Chem A· September 2009

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Equilibrium structure and torsional barrier of BH3NH3.
Jean Demaison, Jacques Liévin, Attila G Császár, Claudine Gutle

J Phys Chem A· May 2008

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A comparison of two methods for selecting vibrational configuration interaction spaces on a heptatomic system: ethylene oxide.
Didier Bégué, Neil Gohaud, Claude Pouchan, Patrick Cassam-Chenaï, Jacques Liévin

J Chem Phys· October 2007

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Ab initio study of the ionization of the DNA bases: ionization potentials and excited states of the cations.
Emilie Cauët, Dominique Dehareng, Jacques Liévin

J Phys Chem A· July 2006

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Vinylidene-acetylene cation isomerization investigated by large scale ab initio calculations.
Séverine Boyé-Péronne, Dolores Gauyacq, Jacques Liévin

J Chem Phys· June 2006

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Histidine-Aromatic Interactions in Proteins and Protein-Ligand Complexes:  Quantum Chemical Study of X-ray and Model Structures.
Emilie Cauët, Marianne Rooman, René Wintjens, Jacques Liévin, Christophe Biot

J Chem Theory Comput· May 2005

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