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TITLE: A detailed investigation on the global minimum structures of mixed rare-gas clusters: Geometry, energetics, and site occupancy  Full Text
AUTHORS: Jorge M C Marques ; Francisco B Pereira ;
PUBLISHED: 2013, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 34, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 15
IN MY: ORCID
2
TITLE: Microsolvation of the Potassium Ion with Aromatic Rings: Comparison between Hexafluorobenzene and Benzene
AUTHORS: Marques, JMC ; Llanio Trujillo, JL; Alberti, M; Aguilar, A; Pirani, F;
PUBLISHED: 2013, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 117, ISSUE: 33
INDEXED IN: Scopus WOS CrossRef: 14
IN MY: ORCID
3
TITLE: New insights on lithium-cation microsolvation by solvents forming hydrogen-bonds: Water versus methanol  Full Text
AUTHORS: Llanio Trujillo, JL; Marques, JMC ; Pereira, FB ;
PUBLISHED: 2013, SOURCE: COMPUTATIONAL AND THEORETICAL CHEMISTRY, VOLUME: 1021
INDEXED IN: Scopus WOS
IN MY: ORCID
4
TITLE: Alkali-Ion Microsolvation with Benzene Molecules
AUTHORS: Marques, JMC ; Llanio Trujillo, JL; Alberti, M; Aguilar, A; Pirani, F;
PUBLISHED: 2012, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 116, ISSUE: 20
INDEXED IN: Scopus WOS CrossRef: 17
IN MY: ORCID
5
TITLE: Intermolecular potentials for simulations of collisions of SiNCS+ and (CH3)(2)SiNCS+ ions with fluorinated self-assembled monolayers  Full Text
AUTHORS: Juan J Jose Nogueira; Antonio Sanchez Coronilla; Jorge M C Marques ; William L Hase; Emilio Martinez Nunez; Saulo A Vazquez;
PUBLISHED: 2012, SOURCE: CHEMICAL PHYSICS, VOLUME: 399
INDEXED IN: Scopus WOS CrossRef: 6
IN MY: ORCID
6
TITLE: On the use of big-bang method to generate low-energy structures of atomic clusters modeled with pair potentials of different ranges  Full Text
AUTHORS: Marques, JMC ; Pais, AACC ; Abreu, PE ;
PUBLISHED: 2012, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 33, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef: 12
IN MY: ORCID
7
TITLE: An Evolutionary Algorithm for the Global Optimization of Molecular Clusters: Application to Water, Benzene, and Benzene Cation
AUTHORS: Llanio Trujillo, JL; Marques, JMC ; Pereira, FB ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 115, ISSUE: 11
INDEXED IN: Scopus WOS
IN MY: ORCID
8
TITLE: Direct fit of spectroscopic data of diatomic molecules by using genetic algorithms: II. The ground state of RbCs  Full Text
AUTHORS: Marcos M Almeida; Frederico V Prudente; Carlos E Fellows; Jorge M C Marques ; Francisco B Pereira ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, VOLUME: 44, ISSUE: 22
INDEXED IN: Scopus WOS CrossRef: 8
IN MY: ORCID
9
TITLE: Electronic structure calculations on the Ar-C6H12 interaction: Application to the microsolvation of the chair conformer  Full Text
AUTHORS: Abreu, PE ; Marques, JMC ; Pereira, FB ;
PUBLISHED: 2011, SOURCE: 7th Congress on Electronic Structure - Principles and Applications (ESPA) in COMPUTATIONAL AND THEORETICAL CHEMISTRY, VOLUME: 975, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 5
IN MY: ORCID
10
TITLE: An evolutionary algorithm for global minimum search of binary atomic clusters  Full Text
AUTHORS: Marques, JMC ; Pereira, FB ;
PUBLISHED: 2010, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 485, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 65
IN MY: ORCID
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