Caio Lima Firme

Relation between bond order and delocalization index of QTAIM

Caio Lima Firme, O. A. C. Antunes, Pierre M. Esteves · Chemical Physics Letters · 2008 · 122 citations · Full text

Engineering, Chemical Bond, Applied Physics +3

Hydrogen–Hydrogen Bonds in Highly Branched Alkanes and in Alkane Complexes: A DFT, ab initio, QTAIM, and ELF Study

Norberto de Kássio Vieira Monteiro, Caio Lima Firme · The Journal of Physical Chemistry A · 2014 · 86 citations

Engineering, Increased Stabilities, Hydrogen-hydrogen Bonding +16

QTAIM and NCI analysis of intermolecular interactions in steroid ligands binding a cytochrome P450 enzyme – Beyond the most obvious interactions

Caio Lima Firme, Norberto de Kássio Vieira Monteiro, Sérgio Ruschi Bergamachi Silva · Computational and Theoretical Chemistry · 2017 · 39 citations · Full text

Molecular Pharmacology, Biochemistry, Natural Sciences +11

Exchange bias and spin glass in La2FeMnO6 nanoparticles

João Batista de Azevedo Filho, J.H. de Araújo, Marco A. Morales et al. · Journal of Magnetism and Magnetic Materials · 2018 · 33 citations

Materials Science, Magnetism, Ferromagnetism +6

A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4,5-dione

Nanci C. de Lucas, Mônica Maciel Elias, Caio Lima Firme et al. · Journal of Photochemistry and Photobiology A Chemistry · 2008 · 30 citations · Full text

Chemical Engineering, Engineering, Photochemical Hydrogen Abstraction +11