Miquel Huix‐Rotllant

Progress in Time-Dependent Density-Functional Theory

Mark E. Casida, Miquel Huix‐Rotllant · Annual Review of Physical Chemistry · 2012 · 939 citations · Full text

Natural Sciences, Chemistry, Physics +15

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

Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection

Samer Gozem, Federico Melaccio, Alessio Valentini et al. · Journal of Chemical Theory and Computation · 2014 · 215 citations

Natural Sciences, Chemistry, Physics +17

First-Principles Quantum Dynamics of Singlet Fission: Coherent versus Thermally Activated Mechanisms Governed by Molecular<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>π</mml:mi></mml:math>Stacking

Hiroyuki Tamura, Miquel Huix‐Rotllant, Irène Burghardt et al. · Physical Review Letters · 2015 · 164 citations

Natural Sciences, Chemistry, Physics +15

Assessment of noncollinear spin-flip Tamm–Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane

Miquel Huix‐Rotllant, Bhaarathi Natarajan, A. N. Ipatov et al. · Physical Chemistry Chemical Physics · 2010 · 127 citations

Natural Sciences, Chemistry, Physics +17