Tognetti V - Search Results

1

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. J Chem Phys. 2013 Jan 14;138(2):024102. doi: 10.1063/1.4770495. J Chem Phys. 2013. PMID: 23320663

2

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. J Phys Chem A. 2009 Nov 5;113(44):12322-7. doi: 10.1021/jp9045534. J Phys Chem A. 2009. PMID: 19817379

3

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. J Chem Phys. 2010 Jun 7;132(21):211101. doi: 10.1063/1.3426312. J Chem Phys. 2010. PMID: 20528009

4

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

Tognetti V, Joubert L. Tognetti V, et al. 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

5

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. 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

6

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: tognetti v. 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

7

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: tognetti v. Org Lett. 2013 May 17;15(10):2530-3. doi: 10.1021/ol4010195. Epub 2013 May 6. Org Lett. 2013. PMID: 23646924

8

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: tognetti v. 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

9

A theoretical study on the gas-phase protonation of pyridine and phosphinine derivatives.

Zielinski F, Tognetti V, Joubert L. Zielinski F, et al. Among authors: tognetti v. J Mol Model. 2013 Sep;19(9):4049-58. doi: 10.1007/s00894-013-1925-6. Epub 2013 Jul 28. J Mol Model. 2013. PMID: 23892566

10

A proposal for an extended dual descriptor: a possible solution when Frontier Molecular Orbital Theory fails.

Tognetti V, Morell C, Ayers PW, Joubert L, Chermette H. Tognetti V, et al. Phys Chem Chem Phys. 2013 Sep 14;15(34):14465-75. doi: 10.1039/c3cp51169c. Epub 2013 Jul 29. Phys Chem Chem Phys. 2013. PMID: 23892788

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