Topological insulating phases in two-dimensional bismuth-containing single layers preserved by hydrogenation RRQ Freitas, R Rivelino, F de Brito Mota, CMC De Castilho, ...
The Journal of Physical Chemistry C 119 (41), 23599-23606, 2015
109 2015 Van der Waals stacks of few-layer h-AlN with graphene: an ab initio study of structural, interaction and electronic properties RB Dos Santos, F de Brito Mota, R Rivelino, A Kakanakova-Georgieva, ...
Nanotechnology 27 (14), 145601, 2016
101 2016 DFT studies of the interactions of a graphene layer with small water aggregates RRQ Freitas, R Rivelino, FB Mota, CMC De Castilho
The Journal of Physical Chemistry A 115 (44), 12348-12356, 2011
87 2011 Exploring hydrogenation and fluorination in curved 2D carbon systems: a density functional theory study on corannulene RB dos Santos, R Rivelino, F de B. Mota, GK Gueorguiev
The Journal of Physical Chemistry A 116 (36), 9080-9087, 2012
82 2012 Quantifying multiple-body interaction terms in H-bonded HCN chains with many-body perturbation/coupled-cluster theories R Rivelino, P Chaudhuri, S Canuto
The Journal of chemical physics 118 (23), 10593-10601, 2003
82 2003 Conformational effects on structure, electron states, and Raman scattering properties of linear carbon chains terminated by graphene-like pieces R Rivelino, RB Dos Santos, F de Brito Mota, GK Gueorguiev
The Journal of Physical Chemistry C 114 (39), 16367-16372, 2010
60 2010 Dissociative adsorption and aggregation of water on the Fe (100) surface: a DFT study RRQ Freitas, R Rivelino, F de Brito Mota, CMC de Castilho
The Journal of Physical Chemistry C 116 (38), 20306-20314, 2012
59 2012 Effects of hydroxyl group distribution on the reactivity, stability and optical properties of fullerenols EE Fileti, R Rivelino, F de Brito Mota, T Malaspina
Nanotechnology 19 (36), 365703, 2008
54 2008 Self-healing in carbon nitride evidenced as material inflation and superlubric behavior KD Bakoglidis, J Palisaitis, RB Dos Santos, R Rivelino, POÅ Persson, ...
ACS applied materials & interfaces 10 (19), 16238-16243, 2018
53 2018 Electronic polarization in liquid acetonitrile: A sequential Monte Carlo/quantum mechanics investigation R Rivelino, BJC Cabral, K Coutinho, S Canuto
Chemical physics letters 407 (1-3), 13-17, 2005
53 2005 Dopant species with Al–Si and N–Si bonding in the MOCVD of AlN implementing trimethylaluminum, ammonia and silane RB Dos Santos, R Rivelino, F de Brito Mota, GK Gueorguiev, ...
Journal of Physics D: Applied Physics 48 (29), 295104, 2015
52 2015 Spin-orbit-induced gap modification in buckled honeycomb XBi and XBi3 (X= B, Al, Ga, and In) sheets RRQ Freitas, F de Brito Mota, R Rivelino, CMC De Castilho, ...
Journal of Physics: Condensed Matter 27 (48), 485306, 2015
51 2015 Rayleigh light scattering of hydrogen bonded clusters investigated by means of ab initio calculations EE Fileti, R Rivelino, S Canuto
Journal of Physics B: Atomic, Molecular and Optical Physics 36 (2), 399, 2003
51 2003 A Monte Carlo-quantum mechanics study of the solvent-induced spectral shift and the specific role of hydrogen bonds in the conformational equilibrium of furfural in water R Rivelino, K Coutinho, S Canuto
The Journal of Physical Chemistry B 106 (47), 12317-12322, 2002
50 2002 Structure and UV−Vis Spectrum of C60 Fullerene in Ethanol: A Sequential Molecular Dynamics/Quantum Mechanics Study T Malaspina, EE Fileti, R Rivelino
The Journal of Physical Chemistry B 111 (41), 11935-11939, 2007
49 2007 Tuning band inversion symmetry of buckled III-Bi sheets by halogenation RRQ Freitas, F de Brito Mota, R Rivelino, CMC De Castilho, ...
Nanotechnology 27 (5), 055704, 2016
48 2016 Effects of N doping on the electronic properties of a small carbon atomic chain with distinct terminations: A first-principles study RB Dos Santos, R Rivelino, F de Brito Mota, GK Gueorguiev
Physical Review B 84 (7), 075417, 2011
47 2011 Theoretical Study of Mixed Hydrogen-Bonded Complexes: H2O⊙⊙⊙ HCN⊙⊙⊙ H2O and H2O⊙⊙⊙ HCN⊙⊙⊙ HCN⊙⊙⊙ H2O R Rivelino, S Canuto
The Journal of Physical Chemistry A 105 (50), 11260-11265, 2001
47 2001 Feasibility of novel (H 3 C) n X (SiH 3) 3− n compounds (X= B, Al, Ga, In): structure, stability, reactivity, and Raman characterization from ab initio calculations RB Dos Santos, R Rivelino, F de Brito Mota, A Kakanakova-Georgieva, ...
Dalton Transactions 44 (7), 3356-3366, 2015
46 2015 Band gap and density of states of the hydrated C60 fullerene system at finite temperature R Rivelino, F de Brito Mota
Nano letters 7 (6), 1526-1531, 2007
46 2007