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Limited By: Subject = Density functionals;
17 items found
 
Displaying Results 1 - 17 of 17 on page 1 of 1
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A TD-DFT study of the effects of structural variations on the photochemistry of polyene dyes (2012)
Agrawal, Saurabh; Dev, Pratibha; English, Niall J.; Thampi, Ravindranathan; MacElroy, J...
University College Dublin
Journal article
unknown
Mark
University College Dublin
Journal article
unknown
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University College Cork
Doctoral thesis
non-peer-reviewed
Enterprise Ireland
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University College Dublin
Journal article
unknown
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University College Dublin
Journal article
unknown
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University College Dublin
Journal article
unknown
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University College Dublin
Journal article
unknown
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University College Cork
Doctoral thesis
non-peer-reviewed
Science Foundation Ireland
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University College Dublin
Journal article
unknown
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University College Dublin
Journal article
unknown
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University College Dublin
Journal article
unknown
Mark
First-principles study of the excited-state properties of coumarin-derived dyes in dye-sensitized solar cells (2011)
Agrawal, Saurabh; Dev, Pratibha; English, Niall J.; Thampi, Ravindranathan; MacElroy, J...
University College Dublin
Journal article
unknown
Mark
Free energy of ligand removal in the metal-organic framework UiO-66 (2016)
Bristow, Jessica K.; Svane, Katrine L.; Tiana, Davide; Skelton, Jonathan M.; Gale, Juli...
University College Cork
Journal article
peer-reviewed
Mark
Mechanism of Atmospheric CO2 Fixation in the Cavities of a Dinuclear Cryptate (2012)
El-Hendawy, Morad M.; English, Niall J.; Mooney, Damian A.
University College Dublin
Journal article
unknown
Mark
University College Cork
Doctoral thesis
non-peer-reviewed
Science Foundation Ireland
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University College Dublin
Journal article
unknown
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NUI Galway
Journal article
peer-reviewed
Displaying Results 1 - 17 of 17 on page 1 of 1
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