4N Baird's rule represented the extension of Hückel's 4N + 2 rule to triplet state systems. In this work we extend the 2(N + 1)2 Hirsch rule for spherical aromatic species to open-shell spherical compounds and we provide evidence that those spherical species having a same-spin half-filled last energy level with the rest of the levels being fully-filled, i.e., those having 2N2 + 2N + 1 electrons and S = N +1/2 , are aromaticWe thank the Spanish MICINN (CTQ2008-03077/BQU, CTQ2008-06532/BQU, CTQ2011-23156, Ramon y Cajal contract), the Catalan DIUE (2009SGR637, 2009SGR528, ICREA Academia 2009 prize), CESCA and BS
A density functional theory study on olefins with five-membered monocyclic 4n and 4n+2 -electron sub...
A density functional theory study on olefins with five-membered monocyclic 4n and 4n+2 -electron sub...
The idea that the concepts of aromaticity and antiaromaticity apply to molecules in other than their...
Maximum spherical aromaticity occurs in icosahedral fullerenes when the valence π-shells are complet...
After more than 150 years since the Kekule\u27s conceptualization of the benzene structure, this sma...
Current-density maps have been computed at the spin-unrestricted ipsocentric UHF-CTOCD-DZ/6-31G*//UB...
A bridge between classical organic polycyclic aromatic hydrocarbons (PAH) and closo borohydride clus...
The ab initio ipsocentric approach to calculation and mapping of induced orbital current density is ...
The Hückel rule defines that monocyclic and planar conjugated systems containing [4n + 2] π electron...
Baird aromaticity describes the stabilization of excited-state molecules due to cyclic conjugation i...
A direct connection is established between tridimensional aromatic closo boron hydride clusters and ...
It is generally observed that quintessential aromatic compounds have delocalised electronic configur...
The low-lying triplet state of a recently published compound (TMTQ, Angew. Chem. Int. Ed. 2015, 20, ...
Polycyclic aromatic hydrocarbons (PAH) are a prominent substance class with a variety of application...
It is suggested that Möbius annulenes follow a rule similar to Baird's rule such that the 4n and 4n ...
A density functional theory study on olefins with five-membered monocyclic 4n and 4n+2 -electron sub...
A density functional theory study on olefins with five-membered monocyclic 4n and 4n+2 -electron sub...
The idea that the concepts of aromaticity and antiaromaticity apply to molecules in other than their...
Maximum spherical aromaticity occurs in icosahedral fullerenes when the valence π-shells are complet...
After more than 150 years since the Kekule\u27s conceptualization of the benzene structure, this sma...
Current-density maps have been computed at the spin-unrestricted ipsocentric UHF-CTOCD-DZ/6-31G*//UB...
A bridge between classical organic polycyclic aromatic hydrocarbons (PAH) and closo borohydride clus...
The ab initio ipsocentric approach to calculation and mapping of induced orbital current density is ...
The Hückel rule defines that monocyclic and planar conjugated systems containing [4n + 2] π electron...
Baird aromaticity describes the stabilization of excited-state molecules due to cyclic conjugation i...
A direct connection is established between tridimensional aromatic closo boron hydride clusters and ...
It is generally observed that quintessential aromatic compounds have delocalised electronic configur...
The low-lying triplet state of a recently published compound (TMTQ, Angew. Chem. Int. Ed. 2015, 20, ...
Polycyclic aromatic hydrocarbons (PAH) are a prominent substance class with a variety of application...
It is suggested that Möbius annulenes follow a rule similar to Baird's rule such that the 4n and 4n ...
A density functional theory study on olefins with five-membered monocyclic 4n and 4n+2 -electron sub...
A density functional theory study on olefins with five-membered monocyclic 4n and 4n+2 -electron sub...
The idea that the concepts of aromaticity and antiaromaticity apply to molecules in other than their...