Daniel Roca‐Sanjuán

The OpenMolcas <i>Web</i> : A Community-Driven Approach to Advancing Computational Chemistry

Giovanni Li Manni, Ignacio Fdez. Galván, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2023 · 342 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +15

Peptide Metal–Organic Frameworks for Enantioselective Separation of Chiral Drugs

José Navarro‐Sánchez, A. Argente-García, Y. Moliner‐Martínez et al. · Journal of the American Chemical Society · 2017 · 320 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +14

Luminescence in Crystalline Organic Materials: From Molecules to Molecular Solids

Johannes Gierschner, Junqing Shi, Begoña Milián‐Medina et al. · Advanced Optical Materials · 2021 · 288 citations · Full text

Natural Sciences, Materials Science, Physics +17

Multiconfiguration second‐order perturbation theory approach to strong electron correlation in chemistry and photochemistry

Daniel Roca‐Sanjuán, Francesco Aquilante, Roland Lindh · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 209 citations

Natural Sciences, Chemistry, Physics +16

Solid State Luminescence Enhancement in π-Conjugated Materials: Unraveling the Mechanism beyond the Framework of AIE/AIEE

Junqing Shi, Luis Enrique Aguilar Suarez, Seong‐Jun Yoon et al. · The Journal of Physical Chemistry C · 2017 · 203 citations

Natural Sciences, Chemistry, Materials Science +17