31
TITLE: A New Thermodynamically Favored Flubendazole/Maleic Acid Binary Crystal Form: Structure, Energetics, and in Silico PBPK Model-Based Investigation  Full Text
AUTHORS: de Araujo, GLB; Ferreira, FF; Bernardes, CES; Sato, JAP; Gil, OM; de Faria, DLA; Loebenberg, R; Byrn, SR; Ghisleni, DDM; Bou Chacra, NA; Pinto, TJA; Antonio, SG; Ferraz, HG; Zemlyanov, D; Goncalves, DS; da Piedade, MEM;
PUBLISHED: 2018, SOURCE: CRYSTAL GROWTH & DESIGN, VOLUME: 18, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef: 19
IN MY: ORCID
32
TITLE: Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions  Full Text
AUTHORS: Simões, RG; Bernardes, CES; Joseph, A; Piedade, MMF; Kraus, W; Emmerling, F; Diogo, HP; Minas Da Piedade, ME;
PUBLISHED: 2018, SOURCE: Molecular Pharmaceutics, VOLUME: 15, ISSUE: 11
INDEXED IN: Scopus CrossRef: 17
IN MY: ORCID
33
TITLE: Designing the ammonium cation to achieve a higher hydrophilicity of bistriflimide-based ionic liquids
AUTHORS: de Ferro, AM; Reis, PM; Soromenho, MRC; Bernardes, CES; Shimizu, K; Freitas, AA; Esperanca, JMSS; Lopes, JNC; Rebelo, LPN;
PUBLISHED: 2018, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 29
INDEXED IN: Scopus WOS CrossRef: 16
IN MY: ORCID
34
TITLE: Thermochemistry of 4-HOC6H4COR (R = H, CH3, C2H5, n-C3H7, n-C4H9, n-C5H11, and n-C6H13) compounds  Full Text
AUTHORS: Lopes, CSD; Agapito, F; Bernardes, CES; da Piedade, MEM;
PUBLISHED: 2017, SOURCE: JOURNAL OF CHEMICAL THERMODYNAMICS, VOLUME: 104
INDEXED IN: Scopus WOS CrossRef: 9
IN MY: ORCID
35
TITLE: ForConX: A Forcefield Conversion Tool Based on XML  Full Text
AUTHORS: Lesch, V; Diddens, D; Bernardes, CES; Golub, B; Dequidt, A; Zeindlhofer, V; Sega, M; Schroder, C;
PUBLISHED: 2017, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 38, ISSUE: 9
INDEXED IN: WOS CrossRef: 8
IN MY: ORCID
36
TITLE: AGGREGATES: Finding Structures in Simulation Results of Solutions  Full Text
AUTHORS: Bernardes, CES;
PUBLISHED: 2017, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 38, ISSUE: 10
INDEXED IN: WOS CrossRef: 43
IN MY: ORCID
37
TITLE: Polymorphic Phase Transition in 4 '-Hydroxyacetophenone: Equilibrium Temperature, Kinetic Barrier, and the Relative Stability of Z '=1 and Z '=2 Forms  Full Text
AUTHORS: Joseph, A; Bernardes, CES; Druzhinina, AI; Varushchenko, RM; Nguyen, TY; Emmerling, F; Yuan, LN; Dupray, V; Coquerel, G; da Piedade, MEM;
PUBLISHED: 2017, SOURCE: CRYSTAL GROWTH & DESIGN, VOLUME: 17, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef: 39
IN MY: ORCID
38
TITLE: A new polymorph of 4'-hydroxyvalerophenone revealed by thermoanalytical and X-ray diffraction studies  Full Text
AUTHORS: Lopes, CSD; Bernardes, CES; Piedade, MFM; Diogo, HP; da Piedade, MEM;
PUBLISHED: 2017, SOURCE: EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS, VOLUME: 226, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef: 4
IN MY: ORCID
39
TITLE: Structure-property relationships in protic ionic liquids: a study of solvent-solvent and solvent-solute interactions  Full Text
AUTHORS: Reid, JESJ; Bernardes, CES; Agapito, F; Martins, F; Shimizu, S; da Piedade, MEM; Walker, AJ;
PUBLISHED: 2017, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 19, ISSUE: 41
INDEXED IN: Scopus WOS CrossRef: 32
IN MY: ORCID
40
TITLE: Ionic liquids with anions based on fluorosulfonyl derivatives: from asymmetrical substitutions to a consistent force field model  Full Text
AUTHORS: Gouveia, ASL; Bernardes, CES; Tome, LC; Lozinskaya, EI; Vygodskii, YS; Shaplov, AS; Lopes, JNC; Marrucho, IM;
PUBLISHED: 2017, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 19, ISSUE: 43
INDEXED IN: Scopus WOS CrossRef: 52
IN MY: ORCID
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