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Cuéllar-Zuquin, J; Pepino, AJ; Galván, I; Rivalta, I; Aquilante, F; Garavelli, M; Lindh, R; Segarra-Martí, J
"Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size"
J. Chem. Theory Comput. 19 2023 | 10.1021/acs.jctc.3c00577
Manni, GL; Galván, IF; Alavi, A; Aleotti, F; Aquilante, F; Autschbach, J; Avagliano, D; Baiardi, A; Bao, JJ; Battaglia, S; Birnoschi, L; Blanco-González, A; Bokarev, SI; Broer, R; Cacciari, R; Calio, PB; Carlson, RK; Couto, RC; Cerdán, L; Chibotaru, LF; Chilton, NF; Church, JR; Conti, I; Coriani, S; Cuéllar-Zuquin, J; Daoud, RE; Dattani, N; Decleva, P; de Graaf, C; Delcey, MG; De Vico, L; Dobrautz, W; Dong, SJS; Feng, RL; Ferré, N; Filatov, M; Gagliardi, L; Garavelli, M; González, L; Guan, YF; Guo, MY; Hennefarth, MR; Hermes, MR; Hoyer, CE; Huix-Rotllant, M; Jaiswal, VK; Kaiser, A; Kaliakin, DS; Khamesian, M; King, DS; Kochetov, V; Krosnicki, M; Kumaar, AA; Larsson, ED; Lehtola, S; Lepetit, MB; Lischka, H; Ríos, PL; Lundberg, M; Ma, DX; Mai, S; Marquetand, P; Merritt, ICD; Montorsi, F; Mörchen, M; Nenov, A; Nguyen, VHA; Nishimoto, Y; Oakley, MS; Olivucci, M; Oppel, M; Padula, D; Pandharkar, R; Phung, QM; Plasser, F; Raggi, G; Rebolini, E; Reiher, M; Rivalta, I; Roca-Sanjuán, D; Romig, T; Safari, AA; Sánchez-Mansilla, A; Sand, AM; Schapiro, I; Scott, TR; Segarra-Martí, J; Segatta, F; Sergentu, DC; Sharma, P; Shepard, R; Shu, YN; Staab, JK; Straatsma, TP; Sorensen, LK; Tenorio, BNC; Truhlar, DG; Ungur, L; Vacher, M; Veryazov, V; Voss, TA; Weser, O; Wu, DH; Yang, XC; Yarkony, D; Zhou, C; Zobel, JP; Lindh, R
"The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry"
J. Chem. Theory Comput. 19 2023 | 10.1021/acs.jctc.3c00182
Total: 2
With the support of:
Ayuda CEX2024-001467-M financiada por:
Postal Address:
Universidad de Valencia
Instituto de Ciencia Molecular
Catedrático José Beltrán Martínez nº 2
46980 Paterna
Spain