Entanglement and mutual information in molecules: Comparing localized and delocalized orbitals
The use of the mutual information (MI) as a measure of the entanglement in quantum
systems has gained a consensus in recent years, even if there is an ongoing effort to …
systems has gained a consensus in recent years, even if there is an ongoing effort to …
Exploration of relative π-electron localization in naphthalene aromatic rings by C–H⋯ π interactions: experimental evidence, computational criteria, and database …
Based on the crystal engineering concept, four new esters containing α and β-substituted
naphthalene rings were designed, synthesized and fully characterized. The crystal structure …
naphthalene rings were designed, synthesized and fully characterized. The crystal structure …
Modelos alternativos para a descrição de hidrocarbonetos π-conjugados
RAM SILVA - 2017 - bdtd.ibict.br
As moléculas orgânicas pi conjugadas são de interesse fundamental para a física e a
química. Do ponto de vista teórico, a fenomenologia experimental observada para esses …
química. Do ponto de vista teórico, a fenomenologia experimental observada para esses …