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TITLE: Linking Aggregation in Solution, Solvation, and Solubility of Simvastatin: An Experimental and MD Simulation Study  Full Text
AUTHORS: Simões, RG; Melo, PLT; Bernardes, CES; Heilmann, MT; Emmerling, F; Minas Da Piedade, ME;
PUBLISHED: 2020, SOURCE: Crystal Growth and Design, VOLUME: 21, ISSUE: 1
INDEXED IN: Scopus CrossRef: 6
IN MY: ORCID
22
TITLE: A force field for MD simulations on rhenium organometallic compounds developed from enthalpy of sublimation and X-ray diffraction measurements  Full Text
AUTHORS: Bernardes, CES; Donato, MT; Piedade, MFM; Diogo, HP; Lopes, JNC; da Piedade, MEM;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL THERMODYNAMICS, VOLUME: 133
INDEXED IN: Scopus WOS CrossRef: 5
IN MY: ORCID
23
TITLE: The Curious Case of Acetaldehyde Phenylhydrazone: Resolution of a 120 Year Old Puzzle where Forms with Vastly Different Melting Points Have the Same Structure  Full Text
AUTHORS: Bernades, C; Carravetta, M; Coles, SJ; van Eck, ERH; Meekes, H; da Piedade, MEM; Pitak, MB; Podmore, M; de Ruiter, TAH; Sogutoglu, LC; Steendam, RRE; Threlfall, T;
PUBLISHED: 2019, SOURCE: CRYSTAL GROWTH & DESIGN, VOLUME: 19, ISSUE: 2
INDEXED IN: WOS CrossRef: 8
IN MY: ORCID
24
TITLE: Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid  Full Text
AUTHORS: Joseph, A; Alves, JSR; Bernardes, CES; Piedade, MFM; da Piedade, MEM;
PUBLISHED: 2019, SOURCE: CRYSTENGCOMM, VOLUME: 21, ISSUE: 13
INDEXED IN: Scopus WOS CrossRef: 11
IN MY: ORCID
25
TITLE: Energetics of Glycine Cocrystal or Salt Formation with Two Regioisomers: Fumaric Acid and Maleic Acid  Full Text
AUTHORS: Évora, AOL; Bernardes, CES; Piedade, MFM; Conceição, ACL; Minas Da Piedade, ME;
PUBLISHED: 2019, SOURCE: Crystal Growth and Design, VOLUME: 19, ISSUE: 9
INDEXED IN: Scopus CrossRef: 18
IN MY: ORCID
26
TITLE: Neat ionic liquids versus ionic liquid mixtures: a combination of experimental data and molecular simulation  Full Text
AUTHORS: Gouveia, ASL; Bernardes, CES; Lozinskaya, EI; Shaplov, AS; Lopes, JNC; Marrucho, IM;
PUBLISHED: 2019, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 21, ISSUE: 42
INDEXED IN: Scopus WOS CrossRef: 14
IN MY: ORCID
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TITLE: Comparative structural analyses in four ionic liquid systems: the two low-q peaks of IL structure factor functions
AUTHORS: Bernardes, CES; Shimizu, K; Lopes, JNC;
PUBLISHED: 2018, SOURCE: MOLECULAR SIMULATION, VOLUME: 44, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 9
IN MY: ORCID
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