Cryptoannulenic behavior of certain corannulenes is investigated within the Framework of Huckel molecular orbital theory. It has been found that the cryptoannulenic behavior of the corannulenes studied, generally arises from the type of their individual peripheral rings (4m or 4m + 2) but not from the type of the inner or outer periphery of the whole corannulene system
The altanisation strategy, devised to design molecules with large and paratropic perimeter circulati...
Planar polyaromatic molecules η5-coordinated to transition metal complexes are well-studied and appl...
Ab initio current density maps for [7]circulene computed using the ipsocentric CTOCD-DZ/6-31G**//RHF...
Semiempirical molecular orbital calculations at the level of AM1 type were carried out on Huckel typ...
Within the framework of the Huckel molecular orbital theory, certain linear models are developed to ...
Ab initio current densities induced by an external magnetic field have been computed for corannulene...
Ab initio current densities induced by an external magnetic field have been computed for corannulene...
Ab initio current densities induced by an external magnetic field have been computed for corannulene...
Aromaticity rules in the ground singlet state and the first excited triplet state are exactly opposi...
Aromaticity rules in the ground singlet state and the first excited triplet state are exactly opposi...
Aromaticity rules in the ground singlet state and the first excited triplet state are exactly opposi...
Using the spin-unrestricted density functional theory method, we investigate the interplay between t...
Huckel type cyclacenes having R = 3-10 have been subjected to quantum chemical analyses at the level...
The altanisation strategy, devised to design molecules with large and paratropic perimeter circulati...
The altanisation strategy, devised to design molecules with large and paratropic perimeter circulati...
The altanisation strategy, devised to design molecules with large and paratropic perimeter circulati...
Planar polyaromatic molecules η5-coordinated to transition metal complexes are well-studied and appl...
Ab initio current density maps for [7]circulene computed using the ipsocentric CTOCD-DZ/6-31G**//RHF...
Semiempirical molecular orbital calculations at the level of AM1 type were carried out on Huckel typ...
Within the framework of the Huckel molecular orbital theory, certain linear models are developed to ...
Ab initio current densities induced by an external magnetic field have been computed for corannulene...
Ab initio current densities induced by an external magnetic field have been computed for corannulene...
Ab initio current densities induced by an external magnetic field have been computed for corannulene...
Aromaticity rules in the ground singlet state and the first excited triplet state are exactly opposi...
Aromaticity rules in the ground singlet state and the first excited triplet state are exactly opposi...
Aromaticity rules in the ground singlet state and the first excited triplet state are exactly opposi...
Using the spin-unrestricted density functional theory method, we investigate the interplay between t...
Huckel type cyclacenes having R = 3-10 have been subjected to quantum chemical analyses at the level...
The altanisation strategy, devised to design molecules with large and paratropic perimeter circulati...
The altanisation strategy, devised to design molecules with large and paratropic perimeter circulati...
The altanisation strategy, devised to design molecules with large and paratropic perimeter circulati...
Planar polyaromatic molecules η5-coordinated to transition metal complexes are well-studied and appl...
Ab initio current density maps for [7]circulene computed using the ipsocentric CTOCD-DZ/6-31G**//RHF...
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