| 1 |
A DFT study of dodecahedral beryllium silicide cage clusters
Fioressi S, Bacelo DE, Binning RC
Chemical Physics Letters, 537, 75, 2012 |
| 2 |
Modeling the diiron(II) ferroxidase complex in human H ferritin
Bacelo DE, Binning RC
Chemical Physics Letters, 507(1-3), 174, 2011 |
| 3 |
DFT Comparison of Fe2+ Hydration in the Binding Sites of the Ferroxidase Center of Bullfrog M Ferritin
Bacelo DE, Binning RC
Journal of Physical Chemistry A, 113(7), 1189, 2009 |
| 4 |
Effects of cluster formation on spectra of benzo[a] pyrene and benzo[e] pyrene
Fioressi SE, Binning RC, Bacelo DE
Chemical Physics Letters, 454(4-6), 269, 2008 |
| 5 |
A DFT study of hydration in neutral and zwitterionic norfloxacin
Vitorino GP, Barrera GD, Mazzieri MR, Binning RC, Bacelo DE
Chemical Physics Letters, 432(4-6), 538, 2006 |
| 6 |
Computational study of iron(II) and -(III) complexes with a simple model human H ferritin ferroxidase center
Bacelo DE, Binning RC
Inorganic Chemistry, 45(25), 10263, 2006 |
| 7 |
Structures and energetics of BenSin and Be2nSin (n=1-4) clusters
Binning RC, Bacelo DE
Journal of Physical Chemistry A, 109(5), 754, 2005 |
| 8 |
Direct ab initio molecular dynamics study of C++H2O: angular distribution of products and distribution of product kinetic energies
Ishikawa Y, Ikegami T, Binning RC
Chemical Physics Letters, 370(3-4), 490, 2003 |
| 9 |
Ab initio direct molecular dynamics study of ClONO2+H3O+
Ishikawa Y, Binning RC
Chemical Physics Letters, 358(5-6), 509, 2002 |
| 10 |
Direct ab initio molecular dynamics study of the protonation of nitric acid
Ishikawa Y, Binning RC
Chemical Physics Letters, 338(4-6), 353, 2001 |
