11
TITLE: Aggregation of coronene: the effect of carboxyl and amine functional groups
AUTHORS: Correia, CFO; Marques, JMC; Bartolomei, M; Pirani, F; Macoas, E; Martinho, JMG;
PUBLISHED: 2021, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 23, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 3
IN MY: ORCID
12
TITLE: Modeling microsolvation clusters with electronic-structure calculations guided by analytical potentials and predictive machine learning techniques  Full Text
AUTHORS: Jesus, WS; Prudente, FV; Marques, JMC; Pereira, FB ;
PUBLISHED: 2021, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 23, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 10
IN MY: ORCID
13
TITLE: On the stabilization of the Li+-Li+ interaction by microsolvation with rare-gas atoms
AUTHORS: de Andrade, MD; Jesus, WS; Prudente, FV; Marques, JMC;
PUBLISHED: 2021, SOURCE: THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 140, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 1
IN MY: ORCID
14
TITLE: Calculation of diffusion coefficients of pesticides by employing molecular dynamics simulations
AUTHORS: Santos, JRC; Abreu, PE; Marques, JMC;
PUBLISHED: 2021, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 340
INDEXED IN: Scopus WOS CrossRef: 9
IN MY: ORCID
15
TITLE: Editorial: Application of Optimization Algorithms in Chemistry
AUTHORS: Marques, JMC; Martinez Nunez, E; Hase, WL;
PUBLISHED: 2020, SOURCE: FRONTIERS IN CHEMISTRY, VOLUME: 8
INDEXED IN: Scopus WOS CrossRef: 1
IN MY: ORCID
16
TITLE: A thermodynamic view on the microsolvation of ions by rare gas: application to Li+ with argon
AUTHORS: Guimarães, MN; M de Almeida, M; Marques, JMC; Prudente, FV;
PUBLISHED: 2020, SOURCE: Physical chemistry chemical physics : PCCP, VOLUME: 22, ISSUE: 19
INDEXED IN: Scopus CrossRef: 8
IN MY: ORCID
17
TITLE: Commemorating a true ecological holist  Full Text
AUTHORS: Nielsen, SN; Marques, JC;
PUBLISHED: 2019, SOURCE: ECOLOGICAL INDICATORS, VOLUME: 100
INDEXED IN: Scopus WOS
18
TITLE: Exploring the first-shell and second-shell structures arising in the microsolvation of Li+ by rare gases  Full Text
AUTHORS: Jesus, WS; Marques, JMC; Prudente, FV; Pereira, FB ;
PUBLISHED: 2019, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 119, ISSUE: 13
INDEXED IN: Scopus WOS CrossRef: 9
IN MY: ORCID
20
TITLE: Microsolvation of Li+ in a Mixture of Argon and Krypton: Unveiling the Most Stable Structures of the Clusters
AUTHORS: Jesus, WS; Prudente, FV; Marques, JMC;
PUBLISHED: 2019, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 123, ISSUE: 13
INDEXED IN: Scopus WOS CrossRef: 9
IN MY: ORCID
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