Helena Maria Petrilli
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Electric-field-gradient calculations using the projector augmented wave method
HM Petrilli, PE Blöchl, P Blaha, K Schwarz
Physical Review B 57 (23), 14690, 1998
2061998
Nitrogen binding to the FeMo-cofactor of nitrogenase
J Schimpl, HM Petrilli, PE Blöchl
Journal of the American Chemical Society 125 (51), 15772-15778, 2003
1262003
Hyperfine interactions in silicon quantum dots
LVC Assali, HM Petrilli, RB Capaz, B Koiller, X Hu, SD Sarma
Physical Review B 83 (16), 165301, 2011
912011
Structural, spectroscopic (NMR, IR, and Raman), and DFT investigation of the self-assembled nanostructure of pravastatin-LDH (layered double hydroxides) systems
VRR Cunha, PAD Petersen, MB Goncalves, HM Petrilli, C Taviot-Gueho, ...
Chemistry of Materials 24 (8), 1415-1425, 2012
582012
Ab-initio calculations of the formation energies of BCC-based superlattices in the Fe Al system
PG Gonzales-Ormeño, HM Petrilli, CG Schön
Calphad 26 (4), 573-582, 2002
492002
Quadrupole moments of the halogen nuclei
H Haas, HM Petrilli
Physical Review B 61 (20), 13588, 2000
372000
Layered double hydroxide and sulindac coiled and scrolled nanoassemblies for storage and drug release
MA Rocha, PAD Petersen, E Teixeira-Neto, HM Petrilli, F Leroux, ...
RSC advances 6 (20), 16419-16436, 2016
362016
First-principles calculations for interstitial Fe impurities in hcp Sc, Y, Ti, and Zr
S Frota-Pessôa, LA De Mello, HM Petrilli, AB Klautau
Physical review letters 71 (25), 4206, 1993
361993
Real-space method for calculation of the electric field gradient in systems without symmetry
HM Petrilli, S Frota-Pessôa
Journal of Physics: Condensed Matter 2 (1), 135, 1990
341990
Delivery system for mefenamic acid based on the nanocarrier layered double hydroxide: Physicochemical characterization and evaluation of anti-inflammatory and antinociceptive …
VRR Cunha, VA Guilherme, E de Paula, DR de Araujo, RO Silva, ...
Materials Science and Engineering: C 58, 629-638, 2016
332016
Oxindole-Schiff base copper (II) complexes interactions with human serum albumin: Spectroscopic, oxidative damage, and computational studies
VC da Silveira, GF Caramori, MP Abbott, MB Gonçalves, HM Petrilli, ...
Journal of inorganic biochemistry 103 (10), 1331-1341, 2009
332009
Site localization of Cd impurities in sapphire
GN Darriba, M Rentería, HM Petrilli, LVC Assali
Physical Review B 86 (7), 075203, 2012
322012
Theoretical study of hyperfine and local magnetic properties of Co and Fe clusters in fcc Ag hosts
RN Nogueira, HM Petrilli
Physical Review B 60 (6), 4120, 1999
311999
Mefenamic acid anti-inflammatory drug: probing its polymorphs by vibrational (IR and Raman) and solid-state NMR spectroscopies
VRR Cunha, CMS Izumi, PAD Petersen, A Magalhães, MLA Temperini, ...
The Journal of Physical Chemistry B 118 (16), 4333-4344, 2014
282014
Ab initio calculation of the bcc Fe–Al phase diagram including magnetic interactions
PG Gonzales-Ormeño, HM Petrilli, CG Schön
Scripta materialia 54 (7), 1271-1276, 2006
282006
Electric field gradients at Ta in Zr and Hf inter-metallic compounds
LA Terrazos, HM Petrilli, M Marszalek, H Saitovitch, PRJ Silva, P Blaha, ...
Solid state communications 121 (9-10), 525-529, 2002
282002
First-principles real-space calculations of Fe impurities in Mo and Nb
HM Petrilli, S Frota-Pessôa
Physical Review B 48 (10), 7148, 1993
271993
Development of thermodynamic database for high Mn–high Al steels: phase equilibria in the Fe–Mn–Al–C system by experiment and thermodynamic modeling
MS Kim, YB Kang
Calphad 51, 89-103, 2015
232015
Industrial scale isolation, structural and spectroscopic characterization of epiisopiloturine from Pilocarpus microphyllus Stapf leaves: a promising alkaloid against …
LMC Véras, VRR Cunha, FCDA Lima, MA Guimarães, MM Vieira, ...
PLoS One 8 (6), e66702, 2013
222013
Cd in SnO: probing structural effects on the electronic structure of doped oxide semiconductors through the electric field gradient at the Cd nucleus
LA Errico, M Rentería, HM Petrilli
Physical Review B 75 (15), 155209, 2007
222007
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