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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
2611998
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
1392003
Hyperfine interactions in silicon quantum dots
LVC Assali, HM Petrilli, RB Capaz, B Koiller, X Hu, S Das Sarma
Physical Review B—Condensed Matter and Materials Physics 83 (16), 165301, 2011
1372011
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
862012
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
652002
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
642016
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
572016
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 Magalhaes, MLA Temperini, ...
The Journal of Physical Chemistry B 118 (16), 4333-4344, 2014
442014
Site localization of Cd impurities in sapphire
GN Darriba, M Rentería, HM Petrilli, LVC Assali
Physical Review B—Condensed Matter and Materials Physics 86 (7), 075203, 2012
402012
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
382009
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
381993
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
361999
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
361990
Industrial Scale Isolation, Structural and Spectroscopic Characterization of Epiisopiloturine from Pilocarpus microphyllus Stapf Leaves: A Promising Alkaloid …
LMC Véras, VRR Cunha, FCDA Lima, MA Guimarães, MM Vieira, ...
PLoS One 8 (6), e66702, 2013
352013
Quadrupole moments of the halogen nuclei
H Haas, HM Petrilli
Physical Review B 61 (20), 13588, 2000
342000
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
332006
LAPONITE®-pilocarpine hybrid material: experimental and theoretical evaluation of pilocarpine conformation
VRR Cunha, FCDA Lima, VY Sakai, LMC Véras, JRSA Leite, HM Petrilli, ...
RSC advances 7 (44), 27290-27298, 2017
312017
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
312002
First-principles real-space calculations of Fe impurities in Mo and Nb
HM Petrilli, S Frota-Pessôa
Physical Review B 48 (10), 7148, 1993
291993
Comparative studies of oxindolimine-metal complexes as inhibitors of human DNA topoisomerase IB
S Castelli, MB Gonçalves, P Katkar, GC Stuchi, RAA Couto, HM Petrilli, ...
Journal of Inorganic Biochemistry 186, 85-94, 2018
282018
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