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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
6
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
8
TITLE: Computational Study of Molecules with High Intrinsic Hyperpolarizabilities
AUTHORS: Claudia Cardoso; Paulo E Abreu ; Bruce F Milne; Fernando Nogueira ;
PUBLISHED: 2010, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 114, ISSUE: 39
INDEXED IN: Scopus WOS CrossRef: 12
IN MY: ORCID
9
TITLE: Generation and Characterization of Low-Energy Structures in Atomic Clusters  Full Text
AUTHORS: Marques, JMC ; Pais, AACC ; Abreu, PE ;
PUBLISHED: 2010, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 31, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef: 1
IN MY: ORCID
10
TITLE: How Different Are Two Chemical Structures?  Full Text
AUTHORS: Marques, JMC ; Llanio Trujillo, JL; Abreu, PE ; Pereira, FB ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 50, ISSUE: 12
INDEXED IN: Scopus WOS CrossRef: 39
IN MY: ORCID
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