| Semiclassical description of quantum coherence effects and their quenching: A forward–backward initial value representation study H Wang, M Thoss, KL Sorge, R Gelabert, X Giménez, WH Miller The Journal of Chemical Physics 114 (6), 2562-2571, 2001 | 144 | 2001 |
| Electronic-structure and quantum dynamical study of the photochromism of the aromatic Schiff base salicylideneaniline JM Ortiz-Sánchez, R Gelabert, M Moreno, JM Lluch The Journal of chemical physics 129 (21), 2008 | 107 | 2008 |
| Rationally designed azobenzene photoswitches for efficient two-photon neuronal excitation G Cabré, A Garrido-Charles, M Moreno, M Bosch, M Porta-de-la-Riva, ... Nature Communications 10 (1), 907, 2019 | 106 | 2019 |
| Potential energy landscape of the photoinduced multiple proton-transfer process in the green fluorescent protein: classical molecular dynamics and multiconfigurational … O Vendrell, R Gelabert, M Moreno, JM Lluch Journal of the American Chemical Society 128 (11), 3564-3574, 2006 | 94 | 2006 |
| Semiclassical description of diffraction and its quenching by the forward–backward version of the initial value representation R Gelabert, X Giménez, M Thoss, H Wang, WH Miller The Journal of Chemical Physics 114 (6), 2572-2579, 2001 | 91 | 2001 |
| Synthesis and properties of compressed dihydride complexes of iridium: Theoretical and spectroscopic investigations R Gelabert, M Moreno, JM Lluch, A Lledós, V Pons, DM Heinekey Journal of the American Chemical Society 126 (28), 8813-8822, 2004 | 90 | 2004 |
| A log-derivative formulation of the prefactor for the semiclassical Herman-Kluk propagator R Gelabert, X Gimenez, M Thoss, H Wang, WH Miller The Journal of Physical Chemistry A 104 (45), 10321-10327, 2000 | 79 | 2000 |
| Elongated Dihydrogen Complexes: A Combined Electronic DFT + Nuclear Dynamics Study of the [Ru(H···H)(C5H5)(H2PCH2PH2)]+ Complex R Gelabert, M Moreno, JM Lluch, A Lledós Journal of the American Chemical Society 119 (41), 9840-9847, 1997 | 75 | 1997 |
| Elongated Dihydrogen Complexes: A Combined Electronic DFT+ Nuclear Dynamics Study of the [Ru (H⊙⊙⊙ H)(C5H5)(H2PCH2PH2)]+ Complex R Gelabert, M Moreno, JM Lluch, A Lledós Journal of the American Chemical Society 119 (41), 9840-9847, 1997 | 75 | 1997 |
| Operation of the proton wire in green fluorescent protein. A quantum dynamics simulation O Vendrell, R Gelabert, M Moreno, JM Lluch The Journal of Physical Chemistry B 112 (17), 5500-5511, 2008 | 69 | 2008 |
| Theoretical study on the excited-state intramolecular proton transfer in the aromatic Schiff base salicylidene methylamine: an electronic structure and quantum dynamical approach JM Ortiz-Sánchez, R Gelabert, M Moreno, JM Lluch The Journal of Physical Chemistry A 110 (14), 4649-4656, 2006 | 67 | 2006 |
| Is an extremely low-field proton signal in the NMR spectrum conclusive evidence for a low-barrier hydrogen bond? M Garcia-Viloca, R Gelabert, A Gonzalez-Lafont, M Moreno, JM Lluch The Journal of Physical Chemistry A 101 (46), 8727-8733, 1997 | 65 | 1997 |
| Temperature dependence of proton NMR chemical shift as a criterion to identify low-barrier hydrogen bonds M Garcia-Viloca, R Gelabert, À González-Lafont, M Moreno, JM Lluch Journal of the American Chemical Society 120 (39), 10203-10209, 1998 | 64 | 1998 |
| Are there really low-barrier hydrogen bonds in proteins? The case of photoactive yellow protein M Nadal-Ferret, R Gelabert, M Moreno, JM Lluch Journal of the American Chemical Society 136 (9), 3542-3552, 2014 | 58 | 2014 |
| Structure and Dynamics of LRh“H4” (L = Cp, Tp) Systems. A Theoretical Study R Gelabert, M Moreno, JM Lluch, A Lledós Organometallics 16 (17), 3805-3814, 1997 | 57 | 1997 |
| Photo-deactivation pathways of a double H-bonded photochromic Schiff base investigated by combined theoretical calculations and experimental time-resolved studies C Randino, M Ziółek, R Gelabert, JA Organero, M Gil, M Moreno, ... Physical Chemistry Chemical Physics 13 (33), 14960-14972, 2011 | 52 | 2011 |
| Effect of the Spinning Motion of the Dihydrogen Ligand on the Properties of an Elongated Dihydrogen Complex. A Theoretical Study of the trans-[Os (H⊙⊙⊙ H) Cl (H2PCH2CH2PH2 … R Gelabert, M Moreno, JM Lluch, A Lledós Journal of the American Chemical Society 120 (32), 8168-8176, 1998 | 50 | 1998 |
| A theoretical study of the photochemistry of indigo in its neutral and dianionic (leucoindigo) forms M Moreno, JM Ortiz-Sánchez, R Gelabert, JM Lluch Physical Chemistry Chemical Physics 15 (46), 20236-20246, 2013 | 47 | 2013 |
| A potential energy function for heterogeneous proton-wires. Ground and photoactive states of the proton-wire in the green fluorescent protein O Vendrell, R Gelabert, M Moreno, JM Lluch Journal of Chemical Theory and Computation 4 (7), 1138-1150, 2008 | 47 | 2008 |
| Photoinduced proton transfer from the green fluorescent protein chromophore to a water molecule: analysis of the transfer coordinate O Vendrell, R Gelabert, M Moreno, JM Lluch Chemical physics letters 396 (1-3), 202-207, 2004 | 46 | 2004 |
