| Hydrogen bond cooperativity and anticooperativity within the water hexamer JM Guevara-Vela, E Romero-Montalvo, VAM Gómez, R Chávez-Calvillo, ... Physical Chemistry Chemical Physics 18 (29), 19557-19566, 2016 | 123 | 2016 |
| Hydrogen‐Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach JM Guevara‐Vela, R Chávez‐Calvillo, M García‐Revilla, ... Chemistry–A European Journal 19 (42), 14304-14315, 2013 | 97 | 2013 |
| Interacting quantum atoms—a review JM Guevara-Vela, E Francisco, T Rocha-Rinza, Á Martín Pendás Molecules 25 (17), 4028, 2020 | 72 | 2020 |
| The nature of resonance-assisted hydrogen bonds: A quantum chemical topology perspective JM Guevara-Vela, E Romero-Montalvo, A Costales, ÁM Pendás, ... Physical Chemistry Chemical Physics 18 (38), 26383-26390, 2016 | 71 | 2016 |
| Gas phase absorption studies of photoactive yellow protein chromophore derivatives T Rocha-Rinza, O Christiansen, J Rajput, A Gopalan, DB Rahbek, ... The Journal of Physical Chemistry A 113 (34), 9442-9449, 2009 | 69 | 2009 |
| Ultrafast excited state hydrogen atom transfer in salicylideneaniline driven by changes in aromaticity L Gutiérrez-Arzaluz, F Cortés-Guzmán, T Rocha-Rinza, J Peón Physical Chemistry Chemical Physics 17 (47), 31608-31612, 2015 | 59 | 2015 |
| A theoretical study of singlet low-energy excited states of the benzene dimer T Rocha-Rinza, L De Vico, V Veryazov, BO Roos Chemical physics letters 426 (4-6), 268-272, 2006 | 57 | 2006 |
| Performance of popular XC‐functionals for the description of excitation energies in GFP‐like chromophore models NH List, JM Olsen, T Rocha‐Rinza, O Christiansen, J Kongsted International Journal of Quantum Chemistry 112 (3), 789-800, 2012 | 56 | 2012 |
| Partitioning the DFT exchange-correlation energy in line with the interacting quantum atoms approach E Francisco, JL Casals-Sainz, T Rocha-Rinza, A Martín Pendás Theoretical Chemistry Accounts 135, 1-8, 2016 | 55 | 2016 |
| Photoabsorption studies of neutral green fluorescent protein model chromophores in vacuo J Rajput, DB Rahbek, LH Andersen, T Rocha-Rinza, O Christiansen, ... Physical Chemistry Chemical Physics 11 (43), 9996-10002, 2009 | 46 | 2009 |
| Dynamical correlation within the Interacting Quantum Atoms method through coupled cluster theory R Chávez-Calvillo, M García-Revilla, E Francisco, ÁM Pendás, ... Computational and Theoretical Chemistry 1053, 90-95, 2015 | 45 | 2015 |
| Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow protein T Rocha-Rinza, K Sneskov, O Christiansen, U Ryde, J Kongsted Physical Chemistry Chemical Physics 13 (4), 1585-1589, 2011 | 42 | 2011 |
| Electron correlation in the interacting quantum atoms partition via coupled‐cluster lagrangian densities FJ Holguín‐Gallego, R Chávez‐Calvillo, M García‐Revilla, E Francisco, ... Journal of Computational Chemistry 37 (19), 1753-1765, 2016 | 38 | 2016 |
| Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde E Romero-Montalvo, JM Guevara-Vela, A Costales, ÁM Pendás, ... Physical Chemistry Chemical Physics 19 (1), 97-107, 2017 | 35 | 2017 |
| Linear response coupled cluster study of the benzene excimer T Rocha-Rinza, O Christiansen Chemical Physics Letters 482 (1-3), 44-49, 2009 | 30 | 2009 |
| Acidity and basicity interplay in amide and imide self-association WEV Narváez, EI Jiménez, E Romero-Montalvo, A Sauza-de la Vega, ... Chemical Science 9 (19), 4402-4413, 2018 | 29 | 2018 |
| Bifunctional thioureas with α-trifluoromethyl or methyl groups: Comparison of catalytic performance in Michael additions EI Jiménez, WE Vallejo Narvaez, CA Román-Chavarría, ... The Journal of Organic Chemistry 81 (17), 7419-7431, 2016 | 29 | 2016 |
| Electron density analysis of aromatic complexes in excited electronic states: The benzene and naphthalene excimers J Jara-Cortés, T Rocha-Rinza, J Hernandez-Trujillo Computational and Theoretical Chemistry 1053, 220-228, 2015 | 28 | 2015 |
| Properties of atoms in electronically excited molecules within the formalism of TDDFT EI Sánchez‐Flores, R Chávez‐Calvillo, TA Keith, G Cuevas, ... Journal of computational chemistry 35 (10), 820-828, 2014 | 28 | 2014 |
| On the strength of hydrogen bonding within water clusters on the coordination limit VM Castor‐Villegas, JM Guevara‐Vela, WE Vallejo Narvaez, ... Journal of Computational Chemistry 41 (26), 2266-2277, 2020 | 25 | 2020 |
