J. M. C. Marques

Symmetry numbers and chemical reaction rates

Antonio Fernández‐Ramos, Benjamin A. Ellingson, Rubén Meana‐Pañeda et al. · Theoretical Chemistry Accounts · 2007 · 464 citations · Full text

Natural Sciences, Chemistry, Physics +10

An Evolutionary Algorithm for the Global Optimization of Molecular Clusters: Application to Water, Benzene, and Benzene Cation

J. L. Llanio-Trujillo, J. M. C. Marques, Francisco B. Pereira · The Journal of Physical Chemistry A · 2011 · 74 citations

Natural Sciences, Chemistry, Computational Chemistry +12

An evolutionary algorithm for global minimum search of binary atomic clusters

J. M. C. Marques, Francisco B. Pereira · Chemical Physics Letters · 2009 · 70 citations

Computing, Computer Science, Algorithms +12

Method for quasiclassical trajectory calculations on potential energy surfaces defined from gradients and Hessians, and model to constrain the energy in vibrational modes

A. J. C. Varandas, J. M. C. Marques · The Journal of Chemical Physics · 1994 · 70 citations

Natural Sciences, Chemistry, Physics +17

A detailed state-to-state low-energy dynamics study of the reaction O(3<i>P</i>)+OH(2Π)→O2(<i>X</i> 3Σ<i>g</i>−)+H(2<i>S</i>) using a quasiclassical trajectory–internal-energy quantum-mechanical-threshold method

A. J. C. Varandas, J. M. C. Marques · The Journal of Chemical Physics · 1992 · 54 citations

Natural Sciences, Chemistry, Physics +12