| Symmetry numbers and chemical reaction rates A Fernández-Ramos, BA Ellingson, R Meana-Pañeda, JMC Marques, ... Theoretical Chemistry Accounts 118, 813-826, 2007 | 435 | 2007 |
| An evolutionary algorithm for the global optimization of molecular clusters: application to water, benzene, and benzene cation JL Llanio-Trujillo, JMC Marques, FB Pereira The Journal of Physical Chemistry A 115 (11), 2130-2138, 2011 | 83 | 2011 |
| An evolutionary algorithm for global minimum search of binary atomic clusters JMC Marques, FB Pereira Chemical Physics Letters 485 (1-3), 211-216, 2010 | 80 | 2010 |
| Method for quasiclassical trajectory calculations on potential energy surfaces defined from gradients and Hessians, and model to constrain the energy in vibrational modes AJC Varandas, JMC Marques The Journal of chemical physics 100 (3), 1908-1920, 1994 | 75 | 1994 |
| A detailed state‐to‐state low‐energy dynamics study of the reaction O(3P)+OH(2Π)→O2(X̃ 3Σg−)+H(2S) using a quasiclassical trajectory–internal … AJC Varandas, JMC Marques The Journal of chemical physics 97 (6), 4050-4065, 1992 | 59 | 1992 |
| On the chaperon mechanism for association rate constants: the formation of HO2 and O3 AJC Varandas, A Pais, JMC Marques, W Wang Chemical physics letters 249 (3-4), 264-271, 1996 | 58 | 1996 |
| Quasiclassical dynamics simulation of the collision-induced dissociation of Cr (CO) 6+ with Xe E Martínez-Núñez, A Fernández-Ramos, SA Vázquez, J Marques, M Xue, ... The Journal of chemical physics 123 (15), 2005 | 57 | 2005 |
| A study on diversity for cluster geometry optimization FB Pereira, JMC Marques Evolutionary Intelligence 2, 121-140, 2009 | 52 | 2009 |
| A new genetic algorithm to be used in the direct fit of potential energy curves to ab initio and spectroscopic data JMC Marques, FV Prudente, FB Pereira, MM Almeida, AM Maniero, ... Journal of Physics B: Atomic, Molecular and Optical Physics 41 (8), 085103, 2008 | 50 | 2008 |
| Trajectory Dynamics Study of the Ar + CH4 Dissociation Reaction at High Temperatures: the Importance of Zero-Point-Energy Effects JMC Marques, E Martinez-Nuñez, A Fernandez-Ramos, SA Vázquez The Journal of Physical Chemistry A 109 (24), 5415-5423, 2005 | 47 | 2005 |
| Time-dependent wave packet calculation of the LiH+ H reactive scattering on a new potential energy surface FV Prudente, JMC Marques, AM Maniero Chemical Physics Letters 474 (1-3), 18-22, 2009 | 46 | 2009 |
| How different are two chemical structures? JMC Marques, JL Llanio-Trujillo, PE Abreu, FB Pereira Journal of Chemical information and Modeling 50 (12), 2129-2140, 2010 | 43 | 2010 |
| Modeling coronene nanostructures: analytical potential, stable configurations and ab initio energies M Bartolomei, F Pirani, JMC Marques The Journal of Physical Chemistry C 121 (26), 14330-14338, 2017 | 33 | 2017 |
| A global optimization perspective on molecular clusters JMC Marques, FB Pereira, JL Llanio-Trujillo, PE Abreu, M Albertí, ... Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2017 | 33 | 2017 |
| Trajectory Surface Hopping Study of the Li + Li2(XΣg+) Dissociation Reaction AI Voronin, JMC Marques, AJC Varandas The Journal of Physical Chemistry A 102 (30), 6057-6062, 1998 | 33 | 1998 |
| On the high pressure rate constants for the H/Mu+ O 2 addition reactions JMC Marques, AJC Varandas Physical Chemistry Chemical Physics 3 (4), 505-507, 2001 | 32 | 2001 |
| Low‐energy structures of benzene clusters with a novel accurate potential surface M Bartolomei, F Pirani, JMC Marques Journal of Computational Chemistry 36 (31), 2291-2301, 2015 | 31 | 2015 |
| Designing efficient evolutionary algorithms for cluster optimization: A study on locality FB Pereira, JMC Marques, T Leitão, J Tavares Advances in metaheuristics for hard optimization, 223-250, 2008 | 31 | 2008 |
| Analysis of locality in hybrid evolutionary cluster optimization FB Pereira, JMC Marques, T Leitão, J Tavares 2006 IEEE International Conference on Evolutionary Computation, 2285-2292, 2006 | 31 | 2006 |
| Alkali-ion microsolvation with benzene molecules JMC Marques, JL Llanio-Trujillo, M Albertí, A Aguilar, F Pirani The Journal of Physical Chemistry A 116 (20), 4947-4956, 2012 | 30 | 2012 |
