Carmona-Novillo E - Search Results

1

The intermolecular potentials of the O2-O2 dimer: a detailed ab initio study of the energy splittings for the three lowest multiplet states.

Bartolomei M, Hernández MI, Campos-Martínez J, Carmona-Novillo E, Hernández-Lamoneda R. Bartolomei M, et al. Among authors: carmona novillo e. Phys Chem Chem Phys. 2008 Sep 21;10(35):5374-80. doi: 10.1039/b803555e. Epub 2008 Jul 9. Phys Chem Chem Phys. 2008. PMID: 18766233

2

Quasiclassical trajectory study of reactive and dissociative processes in H2+H2: comparison with quantum-mechanical calculations.

Carmona-Novillo E, Bartolomei M, Hernández MI, Campos-Martínez J. Carmona-Novillo E, et al. J Chem Phys. 2007 Mar 28;126(12):124315. doi: 10.1063/1.2712842. J Chem Phys. 2007. PMID: 17411131

3

Accurate ab initio intermolecular potential energy surface for the quintet state of the O2(3Sigma(g)-)-O2(3Sigma(g)-) dimer.

Bartolomei M, Carmona-Novillo E, Hernández MI, Campos-Martínez J, Hernandez-Lamoneda R. Bartolomei M, et al. Among authors: carmona novillo e. J Chem Phys. 2008 Jun 7;128(21):214304. doi: 10.1063/1.2929852. J Chem Phys. 2008. PMID: 18537419

4

Global ab initio potential energy surfaces for the O2(3Σg-)+O2(3Σg-) interaction.

Bartolomei M, Carmona-Novillo E, Hernández MI, Campos-Martínez J, Hernández-Lamoneda R. Bartolomei M, et al. Among authors: carmona novillo e. J Chem Phys. 2010 Sep 28;133(12):124311. doi: 10.1063/1.3479395. J Chem Phys. 2010. PMID: 20886936

5

Ab initio rovibrational structure of the lowest singlet state of O2-O2.

Carmona-Novillo E, Bartolomei M, Hernández MI, Campos-Martínez J, Hernández-Lamoneda R. Carmona-Novillo E, et al. J Chem Phys. 2012 Sep 21;137(11):114304. doi: 10.1063/1.4752741. J Chem Phys. 2012. PMID: 22998259

6

Global ab initio potential energy surface for the O2((3)Σ(g)(-)) + N2((1)Σ(g)(-)) interaction. Applications to the collisional, spectroscopic, and thermodynamic properties of the complex.

Bartolomei M, Carmona-Novillo E, Hernández MI, Campos-Martínez J, Moszyński R. Bartolomei M, et al. Among authors: carmona novillo e. J Phys Chem A. 2014 Aug 21;118(33):6584-94. doi: 10.1021/jp503182h. Epub 2014 May 21. J Phys Chem A. 2014. PMID: 24824559

7

Chemical Interactions and Spin Structure in (O2)4: Implications for the ε-O2 Phase.

García-Revilla MA, Francisco E, Martín Pendás A, Recio JM, Bartolomei M, Hernández MI, Campos-Martínez J, Carmona-Novillo E, Hernández-Lamoneda R. García-Revilla MA, et al. Among authors: carmona novillo e. J Chem Theory Comput. 2013 May 14;9(5):2179-88. doi: 10.1021/ct301070f. Epub 2013 Apr 5. J Chem Theory Comput. 2013. PMID: 26583712

8

Long-range interaction for dimers of atmospheric interest: dispersion, induction and electrostatic contributions for O(2)-O(2), N(2)-N(2) and O(2)-N(2).

Bartolomei M, Carmona-Novillo E, Hernández MI, Campos-Martínez J, Hernández-Lamoneda R. Bartolomei M, et al. Among authors: carmona novillo e. J Comput Chem. 2011 Jan 30;32(2):279-90. doi: 10.1002/jcc.21619. J Comput Chem. 2011. PMID: 20645304

9

Penetration Barrier of Water through Graphynes' Pores: First-Principles Predictions and Force Field Optimization.

Bartolomei M, Carmona-Novillo E, Hernández MI, Campos-Martínez J, Pirani F, Giorgi G, Yamashita K. Bartolomei M, et al. Among authors: carmona novillo e. J Phys Chem Lett. 2014 Feb 20;5(4):751-5. doi: 10.1021/jz4026563. Epub 2014 Feb 7. J Phys Chem Lett. 2014. PMID: 26270848

10

Intermolecular interaction potentials for the Ar-C2H2, Kr-C2H2, and Xe-C2H2 weakly bound complexes: information from molecular beam scattering, pressure broadening coefficients, and rovibrational spectroscopy.

Cappelletti D, Bartolomei M, Carmona-Novillo E, Pirani F, Blanquet G, Thibault F. Cappelletti D, et al. J Chem Phys. 2007 Feb 14;126(6):064311. doi: 10.1063/1.2434174. J Chem Phys. 2007. PMID: 17313219 Free article.

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