Marilia Junqueira Caldas
Marilia Junqueira Caldas
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Valence-band ordering in ZnO
DC Reynolds, DC Look, B Jogai, CW Litton, G Cantwell, WC Harsch
Physical Review B 60 (4), 2340, 1999
Many-electron multiplet effects in the spectra of impurities in heteropolar semiconductors
A Fazzio, MJ Caldas, A Zunger
Physical Review B 30 (6), 3430, 1984
A universal trend in the binding energies of deep impurities in semiconductors
MJ Caldas, A Fazzio, A Zunger
Applied physics letters 45 (6), 671-673, 1984
Solid state effects on exciton states and optical properties of PPV
A Ruini, MJ Caldas, G Bussi, E Molinari
Physical review letters 88 (20), 206403, 2002
Role of disorder in the conduction mechanism in polyanilines
DS Galvo, DA Dos Santos, B Laks, CP De Melo, MJ Caldas
Physical review letters 63 (7), 786, 1989
First-principles theory of correlated transport through nanojunctions
A Ferretti, A Calzolari, R Di Felice, F Manghi, MJ Caldas, MB Nardelli, ...
Physical review letters 94 (11), 116802, 2005
Optical emission from small Si particles
RJ Baierle, MJ Caldas, E Molinari, S Ossicini
Solid State Communications 102 (7), 545-549, 1997
Electronic structure of copper, silver, and gold impurities in silicon
A Fazzio, MJ Caldas, A Zunger
Physical Review B 32 (2), 934, 1985
Electronic properties of polymer crystals: the effect of interchain interactions
A Ferretti, A Ruini, E Molinari, MJ Caldas
Physical review letters 90 (8), 086401, 2003
Anion-antisite-like defects in III-V compounds
MJ Caldas, J Dabrowski, A Fazzio, M Scheffler
Physical review letters 65 (16), 2046, 1990
Interchain interaction and Davydov splitting in polythiophene crystals: An ab initio approach
G Bussi, A Ruini, E Molinari, MJ Caldas, P Puschnig, C Ambrosch-Draxl
Applied physics letters 80 (22), 4118-4120, 2002
Polymerization of 5, 6‐indolequinone: A view into the band structure of melanins
DS Galvao, MJ Caldas
The Journal of chemical physics 88 (6), 4088-4091, 1988
Geometric and spectroscopic study of some molecules related to eumelanins. 1. Monomers
LE Bolivar-Marinez, DS Galvao, MJ Caldas
The Journal of Physical Chemistry B 103 (15), 2993-3000, 1999
Separation of one- and many-electron effects in the excitation spectra of impurities in semiconductors
A Fazzio, M Caldas, A Zunger
Physical Review B 29 (10), 5999, 1984
Ab initio calculations of structural and dynamical properties of -phenylene) and poly(p-phenylene vinylene)
RB Capaz, MJ Caldas
Physical Review B 67 (20), 205205, 2003
Optical properties and charge-transfer excitations in edge-functionalized all-graphene nanojunctions
C Cocchi, D Prezzi, A Ruini, MJ Caldas, E Molinari
The journal of physical chemistry letters 2 (11), 1315-1319, 2011
Theoretical investigation of model polymers for eumelanins. I. Finite and infinite polymers
DS Galvao, MJ Caldas
The Journal of chemical physics 92 (4), 2630-2636, 1990
Applicability of MNDO techniques AM1 and PM3 to ring‐structured polymers
LYA Dávila, MJ Caldas
Journal of computational chemistry 23 (12), 1135-1142, 2002
Designing all-graphene nanojunctions by covalent functionalization
C Cocchi, A Ruini, D Prezzi, MJ Caldas, E Molinari
The Journal of Physical Chemistry C 115 (7), 2969-2973, 2011
Theoretical investigation of the electrical and optical activity of vanadium in GaAs
MJ Caldas, SK Figueiredo, A Fazzio
Physical Review B 33 (10), 7102, 1986
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