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2012 |
The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity |
Garcia Borrà s, Marc
; Osuna Oliveras, SÃlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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1996 |
Exploring chromium (VI) dioxodihalides chemistry: is density functional theory the most suitable tool? |
Torrent Sucarrat, Miquel
; Gili Trujillo, Pedro
; Duran i Portas, Miquel
; Solà i Puig, Miquel
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Exploring chromium (VI) dioxodihalides chemistry: is density functional theory the most suitable tool? |
Torrent Sucarrat, Miquel
; Gili Trujillo, Pedro
; Duran i Portas, Miquel
; Solà i Puig, Miquel
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Exploring the potential energy surface of E2P4 clusters (E=Group 13 element): The quest for inverse carbon-free sandwiches |
Castro Aguilera, Abril Carolina
; Osorio, Edison
; Cabellos, José Luis
; Cerpa, Erick
; Matito i Gras, Eduard
; Solà i Puig, Miquel
; Swart, Marcel
; Merino, Gabriel
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2014 |
Exploring the potential energy surface of E2P4 clusters (E=Group 13 element): The quest for inverse carbon-free sandwiches |
Castro Aguilera, Abril Carolina
; Osorio, Edison
; Cabellos, José Luis
; Cerpa, Erick
; Matito i Gras, Eduard
; Solà i Puig, Miquel
; Swart, Marcel
; Merino, Gabriel
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|
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Exploring the validity of the Glidewell-Lloyd extension of Clar’s π-sextet rule: assessment from polycyclic conjugated hydrocarbons |
El Bakouri, Ouissam
; Poater i Teixidor, Jordi
; Feixas Geronès, Ferran
; Solà i Puig, Miquel
|
|
|
Exploring the validity of the Glidewell-Lloyd extension of Clar’s π-sextet rule: assessment from polycyclic conjugated hydrocarbons |
El Bakouri, Ouissam
; Poater i Teixidor, Jordi
; Feixas Geronès, Ferran
; Solà i Puig, Miquel
|
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5 juny 2018 |
Exploring the validity of the Glidewell-Lloyd extension of Clar’s π-sextet rule: assessment from polycyclic conjugated hydrocarbons |
El Bakouri, Ouissam
; Poater i Teixidor, Jordi
; Feixas Geronès, Ferran
; Solà i Puig, Miquel
|
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4 agost 2016 |
Exploring the validity of the Glidewell-Lloyd extension of Clar’s π-sextet rule: assessment from polycyclic conjugated hydrocarbons |
El Bakouri, Ouissam
; Poater i Teixidor, Jordi
; Feixas Geronès, Ferran
; Solà i Puig, Miquel
|
|
|
Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study |
MartÃnez, Juan Pablo
; Osuna Oliveras, SÃlvia
; Solà i Puig, Miquel
; Voityuk, Alexander A.
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2015 |
Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study |
MartÃnez López, Juan Pablo
; Osuna Oliveras, SÃlvia
; Solà i Puig, Miquel
; Voityuk, Alexander A.
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1995 |
First-order molecular descriptors for molecular steric similarity |
Solà i Puig, Miquel
; Mestres i López, Jordi
; Carbó-Dorca, Ramon
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1995 |
First-order molecular descriptors for molecular steric similarity |
Solà i Puig, Miquel
; Mestres i López, Jordi
; Carbó-Dorca, Ramon
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|
|
First-order molecular descriptors for molecular steric similarity |
Solà i Puig, Miquel
; Mestres i López, Jordi
; Carbó-Dorca, Ramon
|
|
|
Fmoc-RGDS based fibrils: Atomic details of their hierarchical assembly |
Zanuy, David
; Poater i Teixidor, Jordi
; Solà i Puig, Miquel
; Hamley, Ian W.
; Alemán, Carlos
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|
|
Fmoc-RGDS based fibrils: Atomic details of their hierarchical assembly |
Zanuy, David
; Poater i Teixidor, Jordi
; Solà i Puig, Miquel
; Hamley, Ian W.
; Alemán, Carlos
|
|
5 juny 2018 |
Fmoc-RGDS based fibrils: Atomic details of their hierarchical assembly |
Zanuy, David
; Poater i Teixidor, Jordi
; Solà i Puig, Miquel
; Hamley, Ian W.
; Alemán, Carlos
|
|
|
Fmoc-RGDS based fibrils: Atomic details of their hierarchical assembly |
Zanuy, David
; Poater i Teixidor, Jordi
; Solà i Puig, Miquel
; Hamley, Ian W.
; Alemán, Carlos
|
|
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Forty years of Clar’s aromatic π-sextet rule |
Solà i Puig, Miquel
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|
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Forty years of Clar’s aromatic π-sextet rule |
Solà i Puig, Miquel
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5 juny 2018 |
Forty years of Clar’s aromatic π-sextet rule |
Solà i Puig, Miquel
|
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13 octubre 2013 |
Forty years of Clar’s aromatic π-sextet rule |
Solà i Puig, Miquel
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The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes |
Garcia Borrà s, Marc
; Romero Rivera, Adrián
; Osuna Oliveras, SÃlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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2012 |
The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes |
Garcia Borrà s, Marc
; Romero Rivera, Adrián
; Osuna Oliveras, SÃlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
|
|
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A full dimensionality approach to evaluate the nonlinear optical properties of molecules with large amplitude anharmonic tunneling motions |
Garcia Borrà s, Marc
; Solà i Puig, Miquel
; Lauvergnat, David
; Reis, Heribert C.
; Luis Luis, Josep Maria
; Kirtman, Bernard
|