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Índexos de localització i deslocalització derivats de la densitat bielectrònica: anàlisi i aplicacions en estructura molecular, reactivitat química i aromaticitat |
Poater i Teixidor, Jordi
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Is coronene better described by Clar’s aromatic π-sextet model or by the AdNDP representation? |
Kumar, Anand
; Duran i Portas, Miquel
; Solà i Puig, Miquel
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Is coronene better described by Clar’s aromatic π-sextet model or by the AdNDP representation? |
Kumar, Anand
; Duran i Portas, Miquel
; Solà i Puig, Miquel
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Is coronene better described by Clar’s aromatic π-sextet model or by the AdNDP representation? |
Kumar, Anand
; Duran i Portas, Miquel
; Solà i Puig, Miquel
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1 juny 2018 |
Is coronene better described by Clar’s aromatic π-sextet model or by the AdNDP representation? |
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5 juny 2018 |
Is coronene better described by Clar’s aromatic π-sextet model or by the AdNDP representation? |
Kumar, Anand
; Duran i Portas, Miquel
; Solà i Puig, Miquel
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15 febrer 2020 |
Is coronene better described by Clar’s aromatic π-sextet model or by the AdNDP representation? |
Kumar, Anand
; Duran i Portas, Miquel
; Solà i Puig, Miquel
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Is coronene better described by Clar’s aromatic π-sextet model or by the AdNDP representation? |
Kumar, Anand
; Duran i Portas, Miquel
; Solà i Puig, Miquel
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The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes |
Garcia Borràs, Marc
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
; Osuna Oliveras, Sílvia
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1 juny 2018 |
The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes |
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5 juny 2018 |
The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes |
Garcia Borràs, Marc
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
; Osuna Oliveras, Sílvia
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15 febrer 2020 |
The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes |
Garcia Borràs, Marc
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
; Osuna Oliveras, Sílvia
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1 novembre 2017 |
The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes |
Garcia Borràs, Marc
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
; Osuna Oliveras, Sílvia
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The linear response kernel of conceptual DFT as a measure of aromaticity |
Sablon, Nick
; de Proft, Frank
; Solà i Puig, Miquel
; Geerlings, Paul
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21 març 2012 |
The linear response kernel of conceptual DFT as a measure of aromaticity |
Sablon, Nick
; De Proft, Frank
; Solà i Puig, Miquel
; Geerlings, Paul
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Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes |
Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
; Swart, Marcel
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
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2013 |
Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes |
Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
; Swart, Marcel
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
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Molecular structures of M2N22- (M and N = B, Al, and Ga) clusters using the gradient embedded genetic algorithm |
Islas, Rafael
; Poater i Teixidor, Jordi
; Matito i Gras, Eduard
; Solà i Puig, Miquel
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2012 |
Molecular structures of M2N22- (M and N = B, Al, and Ga) clusters using the gradient embedded genetic algorithm |
Islas, Rafael
; Poater i Teixidor, Jordi
; Matito i Gras, Eduard
; Solà i Puig, Miquel
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Octahedral aromaticity in 2S+1A1g X6q clusters (X = Li-C and Be-Si, S = 0-3, and q = −2 to +4) |
El Bakouri, Ouissam
; Duran i Portas, Miquel
; Poater i Teixidor, Jordi
; Feixas Geronès, Ferran
; Solà i Puig, Miquel
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2016 |
Octahedral aromaticity in 2S+1A1g X6q clusters (X = Li-C and Be-Si, S = 0-3, and q = −2 to +4) |
El Bakouri, Ouissam
; Duran i Portas, Miquel
; Poater i Teixidor, Jordi
; Feixas Geronès, Ferran
; Solà i Puig, Miquel
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Open-shell spherical aromaticity: The 2N2 + 2N + 1 (with S = N + 1/2) rule |
Poater i Teixidor, Jordi
; Solà i Puig, Miquel
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2011 |
Open-shell spherical aromaticity: The 2N2 + 2N + 1 (with S = N + 1/2) rule |
Poater i Teixidor, Jordi
; Solà i Puig, Miquel
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π [pi] Aromaticity and Three-Dimensional Aromaticity: Two sides of the Same Coin? |
Poater i Teixidor, Jordi
; Solà i Puig, Miquel
; Viñas, Clara
; Teixidor, Francesc
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2014 |
π [pi] Aromaticity and Three-Dimensional Aromaticity: Two sides of the Same Coin? |
Poater i Teixidor, Jordi
; Solà i Puig, Miquel
; Viñas Teixidor, Clara
; Teixidor Bombardó, Francesc
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