검색결과 : 15건
| No. | Article |
|---|---|
| 1 |
Strategy for Modeling the Infrared Spectra of Ion-Containing Water Drops Thaunay F, Jana C, Clavaguera C, Ohanessian G Journal of Physical Chemistry A, 122(3), 832, 2018 |
| 2 |
Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides Xemard M, Zimmer S, Cordier M, Goudy V, Ricard L, Clavaguera C, Nocton G Journal of the American Chemical Society, 140(43), 14433, 2018 |
| 3 |
Dynamics of ions in a water drop using the AMOEBA polarizable force field Thaunay F, Ohanessian G, Clavaguera C Chemical Physics Letters, 671, 131, 2017 |
| 4 |
Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment Goudy V, Jaoul A, Cordier M, Clavaguera C, Nocton G Journal of the American Chemical Society, 139(31), 10633, 2017 |
| 5 |
Stepwise Hydration of 2-Aminooxazole: Theoretical Insight into the Structure, Finite Temperature Behavior and Proton-Induced Charge Transfer Calvo F., Bacchus-Montabonel M. -C., Clavaguera C. Journal of Physical Chemistry A, 120(15), 2380, 2016 |
| 6 |
Towards energy decomposition analysis for open and closed shell f-elements mono aqua complexes Marjolin A, Gourlaouen C, Clavaguera C, Dognon JP, Piquemal JP Chemical Physics Letters, 563, 25, 2013 |
| 7 |
Relationship between Conformational Dynamics and Electron Transfer in a Desolvated Peptide. Part I. Structures Semrouni D, Clavaguera C, Ohanessian G, Parks JH Journal of Physical Chemistry B, 117(6), 1746, 2013 |
| 8 |
Relationship between Conformational Dynamics and Electron Transfer in a Desolvated Peptide. Part II. Temperature Dependence Parks JH, Semrouni D, Clavaguera C, Ohanessian G Journal of Physical Chemistry B, 117(6), 1756, 2013 |
| 9 |
Structures and IR Spectra of the Gramicidin S Peptide: Pushing the Quest for Low-Energy Conformations Joshi K, Semrouni D, Ohanessian G, Clavaguera C Journal of Physical Chemistry B, 116(1), 483, 2012 |
| 10 |
Free Energy Simulations of a GTPase: GTP and GDP Binding to Archaeal Initiation Factor 2 Satpati P, Clavaguera C, Ohanessian G, Simonson T Journal of Physical Chemistry B, 115(20), 6749, 2011 |