The aim of this PhD dissertation is to explore the phenomenon of aromaticity in chemical systems. The dissertation will be concerned with the connection between electron counts and stabilities of molecules with specific shape (spherical clusters, sheet-like structures) and to find a relationship between aromaticity and molecular topology.Results will be predicted and verified and characterized by state-of-the-art quantum chemical computations.status: publishe
A direct connection is established between three-dimensional aromatic closo boron hydride clusters a...
Author Institution: Department of Chemistry, Brown University, Providence, Rhode IslandPhotoelectron...
This dissertation focuses on computational explorations of the relationships between aromaticity and...
The aim of this PhD dissertation is to explore the phenomenon of aromaticity in chemical systems. T...
We have studied the topological and local aromaticity of BN-substituted benzene, pyrene, chrysene, t...
After more than 150 years since the Kekule\u27s conceptualization of the benzene structure, this sma...
Metallabenzenes are a class of molecules in which a CH unit in benzene is replaced by a functionaliz...
The planarity of small boron-based clusters is the result of an interplay between geometry, electron...
Since their interesting theoretical and practical implications, aromatic compounds play a central ro...
A direct connection is established between tridimensional aromatic closo boron hydride clusters and ...
Abstract: The aromatic stabilization of closed-shell charged polybenzenoid hydrocarbons (PBHs) has b...
A bridge between classical organic polycyclic aromatic hydrocarbons (PAH) and closo borohydride clus...
Structural characterization of the discrete [Sn@Cu12@Sn20]12− cluster exposed a fascinating architec...
Cyclic water clusters (H2O)n (n = 3-12) trapped inside organic/inorganic hosts do not correspond to ...
Attempts to establish degrees of aromaticity in molecules are legion. In the present study, we begin...
A direct connection is established between three-dimensional aromatic closo boron hydride clusters a...
Author Institution: Department of Chemistry, Brown University, Providence, Rhode IslandPhotoelectron...
This dissertation focuses on computational explorations of the relationships between aromaticity and...
The aim of this PhD dissertation is to explore the phenomenon of aromaticity in chemical systems. T...
We have studied the topological and local aromaticity of BN-substituted benzene, pyrene, chrysene, t...
After more than 150 years since the Kekule\u27s conceptualization of the benzene structure, this sma...
Metallabenzenes are a class of molecules in which a CH unit in benzene is replaced by a functionaliz...
The planarity of small boron-based clusters is the result of an interplay between geometry, electron...
Since their interesting theoretical and practical implications, aromatic compounds play a central ro...
A direct connection is established between tridimensional aromatic closo boron hydride clusters and ...
Abstract: The aromatic stabilization of closed-shell charged polybenzenoid hydrocarbons (PBHs) has b...
A bridge between classical organic polycyclic aromatic hydrocarbons (PAH) and closo borohydride clus...
Structural characterization of the discrete [Sn@Cu12@Sn20]12− cluster exposed a fascinating architec...
Cyclic water clusters (H2O)n (n = 3-12) trapped inside organic/inorganic hosts do not correspond to ...
Attempts to establish degrees of aromaticity in molecules are legion. In the present study, we begin...
A direct connection is established between three-dimensional aromatic closo boron hydride clusters a...
Author Institution: Department of Chemistry, Brown University, Providence, Rhode IslandPhotoelectron...
This dissertation focuses on computational explorations of the relationships between aromaticity and...