List of works - Jorge M. C. Marques

A Detailed Study on the Low-Energy Structures of Charged Colloidal Clusters.

scientific article published on 17 March 2016

A Hybrid Evolutionary Algorithm for Cluster Geometry Optimization: The Importance of Structural Elitism

A Self-Adaptive Evolutionary Algorithm for Cluster Geometry Optimization

A detailed investigation on the global minimum structures of mixed rare-gas clusters: geometry, energetics, and site occupancy.

scientific article published on 29 October 2012

A direct dynamics study of the H2 elimination from 2,5-dihydrofuran

article

A global optimization perspective on molecular clusters.

scientific article published on April 2017

A study on diversity for cluster geometry optimization

A thermodynamic view on the microsolvation of ions by rare gas: application to Li+ with argon

scientific article published on 06 May 2020

Aggregation enhancement of coronene molecules by seeding with alkali-metal ions

scientific article published on 01 July 2019

Aggregation of coronene: the effect of carboxyl and amine functional groups

scientific article published on 05 January 2021

An evolutionary algorithm for the global optimization of molecular clusters: application to water, benzene, and benzene cation.

scientific article published on 3 March 2011

Correction: Solvation of Li+ by argon: how important are three-body forces?

scientific article published on 01 June 2018

Generation and characterization of low-energy structures in atomic clusters.

scientific article published in May 2010

How different are two chemical structures?

scientific article published on 7 December 2010

Improved evolutionary algorithm for the global optimization of clusters with competing attractive and repulsive interactions.

scientific article published in October 2016

Intermolecular potentials for simulations of collisions of SiNCS+ and (CH3)2SiNCS+ ions with fluorinated self-assembled monolayers

article

Low-energy structures of benzene clusters with a novel accurate potential surface.

scientific article published on 30 September 2015

Microsolvation of Li+ in a Mixture of Argon and Krypton: Unveiling the Most Stable Structures of the Clusters

scientific article published on 21 March 2019

Microsolvation of the potassium ion with aromatic rings: comparison between hexafluorobenzene and benzene.

scientific article published on 2 August 2013

Molecular Dynamics Insights for Screening the Ability of Polymers to Remove Pesticides from Water

article

On the use of big-bang method to generate low-energy structures of atomic clusters modeled with pair potentials of different ranges

scientific article published on 01 December 2011

On the use of different potential energy functions in rare-gas cluster optimization by genetic algorithms: application to argon clusters.

scientific article published on 12 June 2008

Potassium ion surrounded by aromatic rings: molecular dynamics of the first solvation shell

article

Quasiclassical dynamics simulation of the collision-induced dissociation of Cr(CO)6+ with Xe

article

Quasiclassical trajectory study of the collision-induced dissociation of CH[sub 3]SH[sup +]+Ar

article

Solvation of Li+ by argon: how important are three-body forces?

scientific article

Symmetry numbers and chemical reaction rates

article by Antonio Fernández-Ramos et al published 11 July 2007 in Theoretical Chemistry Accounts

Time dependent wave packet study of the electronically non-adiabatic Cl + H2reaction using a one-dimensional model

Time-dependent wave packet calculation of the LiH+H reactive scattering on a new potential energy surface

Towards an effective evolutionary approach for binary Lennard-Jones clusters

Trajectory Dynamics Study of Collision-Induced Dissociation of the Ar+CH4Reaction at Hyperthermal Conditions: Vibrational Excitation and Isotope Substitution

article

Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: the importance of zero-point-energy effects.

scientific article published in June 2005

List of works by Jorge M. C. Marques

A Detailed Study on the Low-Energy Structures of Charged Colloidal Clusters.

A Hybrid Evolutionary Algorithm for Cluster Geometry Optimization: The Importance of Structural Elitism

A Self-Adaptive Evolutionary Algorithm for Cluster Geometry Optimization

A detailed investigation on the global minimum structures of mixed rare-gas clusters: geometry, energetics, and site occupancy.

A direct dynamics study of the H2 elimination from 2,5-dihydrofuran

A global optimization perspective on molecular clusters.

A study on diversity for cluster geometry optimization

A thermodynamic view on the microsolvation of ions by rare gas: application to Li+ with argon

Aggregation enhancement of coronene molecules by seeding with alkali-metal ions

Aggregation of coronene: the effect of carboxyl and amine functional groups

An evolutionary algorithm for the global optimization of molecular clusters: application to water, benzene, and benzene cation.

Correction: Solvation of Li+ by argon: how important are three-body forces?

Generation and characterization of low-energy structures in atomic clusters.

How different are two chemical structures?

Improved evolutionary algorithm for the global optimization of clusters with competing attractive and repulsive interactions.

Intermolecular potentials for simulations of collisions of SiNCS+ and (CH3)2SiNCS+ ions with fluorinated self-assembled monolayers

Low-energy structures of benzene clusters with a novel accurate potential surface.

Microsolvation of Li+ in a Mixture of Argon and Krypton: Unveiling the Most Stable Structures of the Clusters

Microsolvation of the potassium ion with aromatic rings: comparison between hexafluorobenzene and benzene.

Molecular Dynamics Insights for Screening the Ability of Polymers to Remove Pesticides from Water

On the use of big-bang method to generate low-energy structures of atomic clusters modeled with pair potentials of different ranges

On the use of different potential energy functions in rare-gas cluster optimization by genetic algorithms: application to argon clusters.

Potassium ion surrounded by aromatic rings: molecular dynamics of the first solvation shell

Quasiclassical dynamics simulation of the collision-induced dissociation of Cr(CO)6+ with Xe

Quasiclassical trajectory study of the collision-induced dissociation of CH[sub 3]SH[sup +]+Ar

Solvation of Li+ by argon: how important are three-body forces?

Symmetry numbers and chemical reaction rates

Time dependent wave packet study of the electronically non-adiabatic Cl + H2reaction using a one-dimensional model

Time-dependent wave packet calculation of the LiH+H reactive scattering on a new potential energy surface

Towards an effective evolutionary approach for binary Lennard-Jones clusters

Trajectory Dynamics Study of Collision-Induced Dissociation of the Ar+CH4Reaction at Hyperthermal Conditions: Vibrational Excitation and Isotope Substitution

Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: the importance of zero-point-energy effects.

Transport Properties of Aqueous Solutions of (1R,2S)-(−)- and (1S,2R)-(+)-Ephedrine Hydrochloride at Different Temperatures