DANIEL
ROCA SANJUAN
TITULAR DE UNIVERSIDAD
Massimo
Olivucci
Publicaciones en las que colabora con Massimo Olivucci (3)
2023
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Journal of Chemical Theory and Computation, Vol. 19, Núm. 20, pp. 6933-6991
2016
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Mechanism of excited state deactivation of indan-1-ylidene and fluoren-9-ylidene malononitriles
Physical Chemistry Chemical Physics, Vol. 18, Núm. 48, pp. 32786-32795
2015
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A surface hopping algorithm for nonadiabatic minimum energy path calculations
Journal of Computational Chemistry, Vol. 36, Núm. 5, pp. 312-320