Cortona P - Search Results

1

On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor.

Guido CA, Cortona P, Mennucci B, Adamo C. Guido CA, et al. Among authors: cortona p. J Chem Theory Comput. 2013 Jul 9;9(7):3118-26. doi: 10.1021/ct400337e. Epub 2013 Jun 18. J Chem Theory Comput. 2013. PMID: 26583991

2

Effective electron displacements: a tool for time-dependent density functional theory computational spectroscopy.

Guido CA, Cortona P, Adamo C. Guido CA, et al. Among authors: cortona p. J Chem Phys. 2014 Mar 14;140(10):104101. doi: 10.1063/1.4867007. J Chem Phys. 2014. PMID: 24628146

3

A new parameter-free correlation functional based on an average atomic reduced density gradient analysis.

Tognetti V, Cortona P, Adamo C. Tognetti V, et al. Among authors: cortona p. J Chem Phys. 2008 Jan 21;128(3):034101. doi: 10.1063/1.2816137. J Chem Phys. 2008. PMID: 18205482

4

Communication: one third: a new recipe for the PBE0 paradigm.

Guido CA, Brémond E, Adamo C, Cortona P. Guido CA, et al. Among authors: cortona p. J Chem Phys. 2013 Jan 14;138(2):021104. doi: 10.1063/1.4775591. J Chem Phys. 2013. PMID: 23320660

5

Density-functional calculations for large systems: can GGA functionals be competitive with hybrid functionals?

Tognetti V, Adamo C, Cortona P. Tognetti V, et al. Among authors: cortona p. Interdiscip Sci. 2010 Jun;2(2):163-8. doi: 10.1007/s12539-010-0073-2. Epub 2010 May 1. Interdiscip Sci. 2010. PMID: 20640785

6

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

7

Assessing modern GGA functionals for solids.

Labat F, Brémond E, Cortona P, Adamo C. Labat F, et al. Among authors: cortona p. J Mol Model. 2013 Jul;19(7):2791-6. doi: 10.1007/s00894-012-1646-2. Epub 2012 Nov 8. J Mol Model. 2013. PMID: 23135534

8

Global hybrids from the semiclassical atom theory satisfying the local density linear response.

Fabiano E, Constantin LA, Cortona P, Della Sala F. Fabiano E, et al. Among authors: cortona p. J Chem Theory Comput. 2015 Jan 13;11(1):122-31. doi: 10.1021/ct500902p. Epub 2014 Dec 24. J Chem Theory Comput. 2015. PMID: 26574210

9

Correlation energy of many-electron systems: a modified Colle-Salvetti approach.

Ragot S, Cortona P. Ragot S, et al. Among authors: cortona p. J Chem Phys. 2004 Oct 22;121(16):7671-80. doi: 10.1063/1.1792153. J Chem Phys. 2004. PMID: 15485226

10

Classical to quantum transition of heat transfer between two silica clusters.

Xiong S, Yang K, Kosevich YA, Chalopin Y, D'Agosta R, Cortona P, Volz S. Xiong S, et al. Among authors: cortona p. Phys Rev Lett. 2014 Mar 21;112(11):114301. doi: 10.1103/PhysRevLett.112.114301. Epub 2014 Mar 19. Phys Rev Lett. 2014. PMID: 24702375

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