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
265 1998 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
141 2011 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
141 2003 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
86 2012 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
66 2002 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
63 2016 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
57 2016 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
46 2014 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
40 2012 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
38 2009 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
38 1993 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
36 2013 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
36 1999 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
36 1990 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
34 2017 Quadrupole moments of the halogen nuclei H Haas, HM Petrilli
Physical Review B 61 (20), 13588, 2000
34 2000 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
33 2006 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
31 2002 ab initio studyP Rocha-Rodrigues, SSM Santos, IP Miranda, GNP Oliveira, JG Correia, ...
Physical Review B 101 (6), 064103, 2020
29 2020 First-principles real-space calculations of Fe impurities in Mo and Nb HM Petrilli, S Frota-Pessôa
Physical Review B 48 (10), 7148, 1993
29 1993 