Publications
Singlet Fission in Pyrene-Fused Azaacene Dimers
Mora-Fuentes, JP; Papadopoulos, I; Thiel, D; Alvarez-Boto, R; Cortizo-Lacalle, D; Clark, T; Melle-Franco, M; Guldi, DM; Mateo-Alonso, A
2020, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 59, 3, 1113-1117.
ISBN:
1521-3773
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Exchange Rules for Diradical pi-Conjugated Hydrocarbons
Ortiz, R; Boto, RA; Garcia-Martinez, N; Sancho-Garcia, JC; Melle-Franco, M; Fernandez-Rossier, J
2019, NANO LETTERS, 19, 9, 5991-5997.
ISBN:
1530-6992
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Nine questions on energy decomposition analysis
Andres, J; Ayers, PW; Boto, RA; Carbo-Dorca, R; Chermette, H; Cioslowski, J; Contreras-Garcia, J; Cooper, DL; Frenking, G; Gatti, C; Heidar-Zadeh, F; Joubert, L; Pendas, AM; Matito, E; Mayer, I; Misquitta, AJ; Mo, YR; Pilme, J; Popelier, PLA; Rahm, M; RamosCordoba, E; Salvador, P; Schwarz, WHE; Shahbazian, S; Silvi, B; Sola, M; Szalewicz, K; Tognetti, V; Weinhold, F; Zins, EL
2019, JOURNAL OF COMPUTATIONAL CHEMISTRY, 40, 26, 2248-2283.
ISBN:
1096-987X
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Bending Carbon Nanoforms for Supramolecular Recognition: A Topological Study on Hemifullerene-Based Aggregates
Calbo, J; Arago, J; Boto, RA; Sanchez-Marin, J; Orti, E; Contreras-Garcia, J
2018, JOURNAL OF PHYSICAL CHEMISTRY A, 122, 4, 1124-1137.
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Revealing strong interactions with the reduced density gradient: a benchmark for covalent, ionic and charge-shift bonds`
Boto, RA; Piquemal, JP; Contreras-Garcia, J
2017, THEORETICAL CHEMISTRY ACCOUNTS, 136, 12.
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