Joubert L - Search Results

1

Decomposition of Møller-Plesset Energies within the Quantum Theory of Atoms-in-Molecules.

Tognetti V, Silva AF, Vincent MA, Joubert L, Popelier PLA. Tognetti V, et al. Among authors: joubert l. J Phys Chem A. 2018 Sep 27;122(38):7748-7756. doi: 10.1021/acs.jpca.8b05357. Epub 2018 Sep 12. J Phys Chem A. 2018. PMID: 30207724

2

The elusive atomic rationale for DNA base pair stability.

Popelier PL, Joubert L. Popelier PL, et al. Among authors: joubert l. J Am Chem Soc. 2002 Jul 24;124(29):8725-9. doi: 10.1021/ja0125164. J Am Chem Soc. 2002. PMID: 12121117

3

Toward a combined DFT/QTAIM description of agostic bonds: the critical case of a Nb(III) complex.

Tognetti V, Joubert L, Cortona P, Adamo C. Tognetti V, et al. Among authors: joubert l. J Phys Chem A. 2009 Nov 5;113(44):12322-7. doi: 10.1021/jp9045534. J Phys Chem A. 2009. PMID: 19817379

4

Communications: Making density functional theory and the quantum theory of atoms in molecules converse: a local approach.

Tognetti V, Joubert L, Adamo C. Tognetti V, et al. Among authors: joubert l. J Chem Phys. 2010 Jun 7;132(21):211101. doi: 10.1063/1.3426312. J Chem Phys. 2010. PMID: 20528009

5

On the influence of density functional approximations on some local Bader's atoms-in-molecules properties.

Tognetti V, Joubert L. Tognetti V, et al. Among authors: joubert l. J Phys Chem A. 2011 Jun 2;115(21):5505-15. doi: 10.1021/jp2031384. Epub 2011 May 6. J Phys Chem A. 2011. PMID: 21548616

6

Characterizing agosticity using the quantum theory of atoms in molecules: bond critical points and their local properties.

Tognetti V, Joubert L, Raucoules R, De Bruin T, Adamo C. Tognetti V, et al. Among authors: joubert l. J Phys Chem A. 2012 Jun 7;116(22):5472-9. doi: 10.1021/jp302264d. Epub 2012 May 23. J Phys Chem A. 2012. PMID: 22621683

7

Electronic excitations in epicocconone analogues: TDDFT methodological assessment guided by experiment.

Syzgantseva OA, Tognetti V, Joubert L, Boulangé A, Peixoto PA, Leleu S, Franck X. Syzgantseva OA, et al. Among authors: joubert l. J Phys Chem A. 2012 Aug 23;116(33):8634-43. doi: 10.1021/jp305269y. Epub 2012 Aug 10. J Phys Chem A. 2012. PMID: 22882017

8

On the physical role of exchange in the formation of an intramolecular bond path between two electronegative atoms.

Tognetti V, Joubert L. Tognetti V, et al. Among authors: joubert l. J Chem Phys. 2013 Jan 14;138(2):024102. doi: 10.1063/1.4770495. J Chem Phys. 2013. PMID: 23320663

9

Thermally controlled decarboxylative [4 + 2] cycloaddition between alkoxyoxazoles and acrylic acid: expedient access to 3-hydroxypyridines.

Jouanno LA, Tognetti V, Joubert L, Sabot C, Renard PY. Jouanno LA, et al. Among authors: joubert l. Org Lett. 2013 May 17;15(10):2530-3. doi: 10.1021/ol4010195. Epub 2013 May 6. Org Lett. 2013. PMID: 23646924

10

Role of cationization and multimers formation for diastereomers differentiation by ion mobility-mass spectrometry.

Domalain V, Tognetti V, Hubert-Roux M, Lange CM, Joubert L, Baudoux J, Rouden J, Afonso C. Domalain V, et al. Among authors: joubert l. J Am Soc Mass Spectrom. 2013 Sep;24(9):1437-45. doi: 10.1007/s13361-013-0690-1. Epub 2013 Jul 17. J Am Soc Mass Spectrom. 2013. PMID: 23860852

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