Gargano R - Search Results

1

Rovibrational energy and spectroscopic constant calculations of CH4⋯CH4, CH4⋯H2O, CH4⋯CHF3, and H2O⋯CHF3 dimers.

Cunha WF, Gargano R, Garcia E, Politi JR, Albernaz AF, Martins JB. Cunha WF, et al. Among authors: gargano r. J Mol Model. 2014 Jul;20(7):2298. doi: 10.1007/s00894-014-2298-1. Epub 2014 Jun 18. J Mol Model. 2014. PMID: 24939466

2

New potential AChE inhibitor candidates.

de Paula AA, Martins JB, dos Santos ML, Nascente Lde C, Romeiro LA, Areas TF, Vieira KS, Gambôa NF, Castro NG, Gargano R. de Paula AA, et al. Among authors: gargano r. Eur J Med Chem. 2009 Sep;44(9):3754-9. doi: 10.1016/j.ejmech.2009.03.045. Epub 2009 Apr 16. Eur J Med Chem. 2009. PMID: 19446931

3

Theoretical study of CH4-CH4, CHF3-CH4, CH4-H2O, and CHF3-H2O dimers.

Martins JB, Politi JR, Garcia E, Vilela AF, Gargano R. Martins JB, et al. Among authors: gargano r. J Phys Chem A. 2009 Dec 31;113(52):14818-23. doi: 10.1021/jp904962b. J Phys Chem A. 2009. PMID: 19670828

4

A computational investigation of the multiple channels of the NF2 + F reaction.

Ramalho SS, Barreto PR, Martins JB, Magela e Silva G, Gargano R. Ramalho SS, et al. Among authors: gargano r. J Phys Chem A. 2009 Dec 31;113(52):14336-42. doi: 10.1021/jp903221b. J Phys Chem A. 2009. PMID: 20028159

5

Fully relativistic rovibrational energies and spectroscopic constants of the lowest X:(1)0(+)g, A':(1)2( u ), A:(1)1 ( u ), B':(1)0(-)u and B:(1)0(+)u states of molecular chlorine.

Machado DF, Silva VH, Esteves CS, Gargano R, Macedo LG, Mundim KC, de Oliveira HC. Machado DF, et al. Among authors: gargano r. J Mol Model. 2012 Sep;18(9):4343-8. doi: 10.1007/s00894-012-1429-9. Epub 2012 May 12. J Mol Model. 2012. PMID: 22581059

6

CO2 adsorption on polar surfaces of ZnO.

Farias SA, Longo E, Gargano R, Martins JB. Farias SA, et al. Among authors: gargano r. J Mol Model. 2013 May;19(5):2069-78. doi: 10.1007/s00894-012-1636-4. Epub 2012 Oct 24. J Mol Model. 2013. PMID: 23093390

7

Vibrational and electronic structure analysis of a carbon dioxide interaction with functionalized single-walled carbon nanotubes.

Paura EN, da Cunha WF, de Oliveira Neto PH, e Silva GM, Martins JB, Gargano R. Paura EN, et al. Among authors: gargano r. J Phys Chem A. 2013 Apr 4;117(13):2854-61. doi: 10.1021/jp312622s. Epub 2013 Mar 5. J Phys Chem A. 2013. PMID: 23425025

8

Structure and electronic properties of azadirachtin.

de Castro EA, de Oliveira DA, Farias SA, Gargano R, Martins JB. de Castro EA, et al. Among authors: gargano r. J Mol Model. 2014 Feb;20(2):2084. doi: 10.1007/s00894-014-2084-0. Epub 2014 Feb 9. J Mol Model. 2014. PMID: 24509732

9

Relativistic four-component potential energy curves for the lowest 23 covalent states of molecular bromine (Br2).

Gomes Jda S, Gargano R, Martins JB, M de Macedo LG. Gomes Jda S, et al. Among authors: gargano r. J Phys Chem A. 2014 Aug 7;118(31):5818-22. doi: 10.1021/jp4114283. Epub 2014 May 19. J Phys Chem A. 2014. PMID: 24779448

10

Alternative analytical forms to model diatomic systems based on the deformed exponential function.

da Fonsêca JE, de Oliveira HC, da Cunha WF, Gargano R. da Fonsêca JE, et al. Among authors: gargano r. J Mol Model. 2014 Jul;20(7):2297. doi: 10.1007/s00894-014-2297-2. Epub 2014 Jun 18. J Mol Model. 2014. PMID: 24939465

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