Caio Lima Firme

Caio Lima Firme , PhD in Theoretical Chemistry (Doctor of Science) and since 2006 he has been working with Quantum Theory of Atoms in Molecules (QTAIM), Density Functional Theory (DFT), among other methods applied to Organic Chemistry and Inorganic Chemistry. Some equations he developed were the D3BIA aromaticity index, the stability parameters of cyclophanes and the Local Potential Energy Density (LPE) for the analysis of intermolecular interactions and chemical bonds. Some of his important...See more

Caio Lima Firme , PhD in Theoretical Chemistry (Doctor of Science) and since 2006 he has been working with Quantum Theory of Atoms in Molecules (QTAIM), Density Functional Theory (DFT), among other methods applied to Organic Chemistry and Inorganic Chemistry. Some equations he developed were the D3BIA aromaticity index, the stability parameters of cyclophanes and the Local Potential Energy Density (LPE) for the analysis of intermolecular interactions and chemical bonds. Some of his important contributions to QTAIM are the linear relation between the delocalization index and formal bond order and the hydrogen-hydrogen bonding applied to alkanes and alkenes. He is Assistant Professor at Federal University of Rio Grande do Norte and had taught Quantum Mechanics and Quantum Chemistry at UFRN. He has one patent and 37 papers so far. Recently, he has written the book Introductory Organic Chemistry and Hydrocarbons: A Physical Chemistry Approach , published by CRC Press/Taylor & Francis Group. See less