Symmetry numbers and chemical reaction rates A Fernández-Ramos, BA Ellingson, R Meana-Pañeda, JMC Marques, ...
Theoretical Chemistry Accounts 118, 813-826, 2007
417 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
80 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
77 1994 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
59 1996 A detailed state‐to‐state low‐energy dynamics study of the reaction O(3 P )+OH(2 Π)→O2 (X ̃ 3 Σg − )+H(2 S ) using a quasiclassical trajectory–internal … AJC Varandas, JMC Marques
The Journal of chemical physics 97 (6), 4050-4065, 1992
59 1992 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
55 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
48 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
47 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 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 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
31 2017 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 Quasiclassical trajectory study of the collision-induced dissociation of E Martınez-Núnez, SA Vázquez, JMC Marques
The Journal of chemical physics 121 (6), 2571-2577, 2004
31 2004 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
30 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
30 2008