Search Results - "Parisel, O."

Comparative study of benzene··· X (X = O2, N2, CO) complexes using density functional theory: the importance of an accurate exchange-correlation energy density at high reduced density gradients.

Authors: Wesolowski, T. A. Parisel, O. Ellinger, Y.

Source: Journal of Physical Chemistry A; October 16 1997, Vol. 101, p7818-7825, 8p

Interstellar silicon-nitrogen chemistry. 4. Which reaction paths to HSiN and HNSi? An extensive ab initio investigation with crucial consequences for molecular astrophysics.

Authors: Parisel, O. Hanus, M. Ellinger, Y.

Source: Journal of Physical Chemistry A; January 16 1997, Vol. 101, p299-309, 11p

Adsorption of atomic hydrogen as driving vector for solid-gas processes on ices.

Authors: Tieppo, N Pauzat, F Parisel, O et al.

Source: Monthly Notices of the Royal Astronomical Society; 1/22/2023, Vol. 518 Issue 3, p3820-3826, 7p

Interstellar silicon-nitrogen chemistry. 2. Spectral signatures of the SiNH2+ molecular ion.

Authors: Parisel, O. Hanus, M. Ellinger, Y.

Source: Journal of Physical Chemistry; February 22 1996, Vol. 100, p2926-2933, 8p

Competitive coordination between lead and oligoelements with respect to some therapeutic heavy-metal chelators.

Authors: Gourlaouen, C. Parisel, O.

Source: International Journal of Quantum Chemistry. 2008, Vol. 108 Issue 11, p1888-1897. 10p. 6 Diagrams, 5 Charts.

Trends in ns² np⁰ [M(CO)]^q+ complexes: From germanium to element 114 (Uuq)

Authors: Gourlaouen, C. Parisel, O. Piquemal, J.-P.

Source: Chemical Physics Letters. Feb2009, Vol. 469 Issue 1-3, p38-42. 5p.

Subjects: Complex compounds, Germanium compounds, Metal bonding, Ion-ion collisions, Metal ions, Carbon monoxide

Importance of backdonation in [M-(CO)]^p+ complexes isoelectronic to [Au-(CO)]⁺.

Authors: Gourlaouen, C. Parisel, O. Piquemal, J.-P.

Source: Journal of Chemical Physics. 9/28/2010, Vol. 133 Issue 12, p124310. 6p.

Gas-Phase Folding of a Two-Residue Model Peptide Chain: On the Importance of an Interplay between Experiment and Theory.

Authors: Gloaguen, E. de Courcy, B. Piquemal, J.-P. et al.

Source: Journal of the American Chemical Society; 9/1/2010, Vol. 132 Issue 34, p11860-11863, 4p

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Interstellar silicon–nitrogen chemistry. III. The spectral signatures of the H2SiN+ molecular ion.

Authors: Parisel, O. Hanus, M. Ellinger, Y.

Source: Journal of Chemical Physics. 2/1/1996, Vol. 104 Issue 5, p1979. 10p.

Building formamide and N-substituted formamides from isocyanates on hydrogenated water ices.

Authors: Tieppo, N. Redondo, P. Pauzat, F. et al.

Source: Astronomy & Astrophysics / Astronomie et Astrophysique. 2025, Vol. 695, p1-9. 9p.

Erratum: 'Importance of BackDonation in [M-(CO)]p+ complexes isoelectronic to [Au-(CO)]+' [J. Chem. Phys. 133, 124310 (2010)].

Authors: Gourlaouen, C. Parisel, O. Piquemal, J.-P.

Source: Journal of Chemical Physics. 12/7/2010, Vol. 133 Issue 21, p219901. 1p.

Enforcing hemidirectionality in Pb(II) complexes: The importance of anionic ligands

Authors: van Severen, M.-C. Piquemal, J.-P. Parisel, O.

Source: Chemical Physics Letters. Jun2011, Vol. 510 Issue 1-3, p27-30. 4p.

Subjects: Lead compounds, Metal complexes, Ligands (Chemistry), Density functionals, Solvation, Mathematical continuum, Metal ions

Beyond holo/hemidirectionality in Pb(II) complexes: Can the valence lone pair be bisdirected?

Authors: Severen, M.-C. van Piquemal, J.-P. Parisel, O.

Source: Chemical Physics Letters. Aug2009, Vol. 478 Issue 1-3, p17-19. 3p.

Subjects: Metal complexes, Lead compounds, Density functionals, Conduction electrons, Localization theory

Unraveling interactions in large complex systems using quantum chemistry interpretative techniques and new generation polarizable force fields.

Authors: Chaudret, R. de Courcy, B. Marjolin, A. et al.

Source: AIP Conference Proceedings. Dec2012, Vol. 1504 Issue 1, p699-702. 4p.

Progress Towards Accurate Molecular Modeling of Metal Complexes Using Polarizable Force Fields.

Authors: Chaudret, R. Ulmer, S. van Severen, M.-C. et al.

Source: AIP Conference Proceedings. 3/9/2009, Vol. 1102 Issue 1, p185-192. 8p. 1 Diagram, 3 Charts, 3 Graphs.

Theoretical modelling of tripodal CuN3 and CuN4 cuprous complexes interacting with O2, CO or CH3CN.

Authors: de la Lande A Gérard H Moliner V et al.

Source: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry [J Biol Inorg Chem] 2006 Jul; Vol. 11 (5), pp. 593-608. Date of Electronic Publication: 2006 May 17.

Publication Type: Journal Article

Journal Info: Publisher: Springer Country of Publication: Germany NLM ID: 9616326 Publication Model: Print-Electronic Cited Medium: Print ISSN: 0949-8257 (Print) Linking ISSN: 09498257 NLM ISO Abbreviation: J Biol Inorg Chem Subsets: MEDLINE

First solvation shell of the Cu(II) aqua ion: evidence for fivefold coordination.

Authors: Pasquarello A Petri I Salmon PS et al.

Source: Science (New York, N.Y.) [Science] 2001 Feb 02; Vol. 291 (5505), pp. 856-9.

Publication Type: Journal Article

Journal Info: Publisher: American Association for the Advancement of Science Country of Publication: United States NLM ID: 0404511 Publication Model: Print Cited Medium: Print ISSN: 0036-8075 (Print) Linking ISSN: 00368075 NLM ISO Abbreviation: Science Subsets: PubMed not MEDLINE