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TITLE: An all-atom force field for MD simulations on organosulfur and organohalogen active pharmaceutical ingredients developed from experimental sublimation enthalpies and single crystal X-ray diffraction data  Full Text
AUTHORS: Lopes, Catia S. D.; Minas da Piedade, Manuel E.; Bernardes, Carlos E. S. ;
PUBLISHED: 2025, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 27, ISSUE: 29
INDEXED IN: Scopus WOS CrossRef
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TITLE: Insights into the dynamics of edible oil oxidation: From molecular interactions to oxidation kinetics  Full Text
AUTHORS: Golodnizky, Daniel; Eshaya, Emil; Bernardes, Carlos E. S. ; Davidovich Pinhas, Maya;
PUBLISHED: 2025, SOURCE: FOOD HYDROCOLLOIDS, VOLUME: 164
INDEXED IN: Scopus WOS CrossRef: 2
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TITLE: Molecular Insights into the Crystallization of 4’-Hydroxyacetophenone from Water: Solute Aggregation, Liquid-Liquid Phase Separation, and Polymorph Selection  Full Text
AUTHORS: Carlos S Bernardes ; Ricardo Simões; Soledade C S Santos; Pedro T Melo; Ângela F Santos; Stéphane Veesler; Manuel Minas da Piedade ;
PUBLISHED: 2025, SOURCE: Crystal Growth and Design, VOLUME: 25, ISSUE: 8
INDEXED IN: Scopus CrossRef
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TITLE: Isotropic liquid state of cocoa butter  Full Text
AUTHORS: Golodnizky, Daniel; Bernardes, Carlos E. S. ; Davidovich Pinhas, Maya;
PUBLISHED: 2024, SOURCE: FOOD CHEMISTRY, VOLUME: 439
INDEXED IN: Scopus WOS CrossRef: 2
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TITLE: Cristais e Seus Esqueletos
AUTHORS: Cátia S. D. Lopes; Carlos E. S. Bernardes ;
PUBLISHED: 2023, SOURCE: Boletim da Sociedade Portuguesa de Química
INDEXED IN: CrossRef
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TITLE: Energetics of dehydroepiandrosterone polymorphs I and II from solution and drop-sublimation Calvet microcalorimetry measurements  Full Text
AUTHORS: Bernardes, Carlos E. S. ; Feliciano, Ines O.; Naese, Christoph; Emmerling, Franziska; da Piedade, Manuel E. Minas ;
PUBLISHED: 2023, SOURCE: JOURNAL OF CHEMICAL THERMODYNAMICS, VOLUME: 186
INDEXED IN: Scopus WOS CrossRef
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TITLE: Polymorphism in Erlotinib Hydrochloride: New Insights into Relative Stability, Thermal Behavior, and Structural Differences of Forms A and B  Full Text
AUTHORS: Catarina T António; António O L Évora; Carlos E S Bernardes ; Hermínio P Diogo; Gabriel L B de Araujo; Pamela Smith; Stephen R Byrn; Rui Fausto; Manuel E Minas da Piedade ;
PUBLISHED: 2023, SOURCE: Crystal Growth and Design, VOLUME: 23, ISSUE: 10
INDEXED IN: Scopus CrossRef: 3
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TITLE: Reversible Single-Crystal-to-Single-Crystal Transformations in a salEen Fe(III) Spin Crossover Sponge  Full Text
AUTHORS: Marques, Rafaela T.; Ferreira, Liliana P.; Gomes, Clara S. B.; Lopes, Catia S. D.; Bernardes, Carlos E. S. ; Sarangi, Nirod Kumar; Keyes, Tia E.; Martinho, Paulo N.;
PUBLISHED: 2023, SOURCE: CRYSTAL GROWTH & DESIGN, VOLUME: 23, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef: 2
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TITLE: Standard molar enthalpy of sublimation of form I nicotinamide
AUTHORS: Feliciano, Ines O.; Bernardes, Carlos E. S. ; da Piedade, Manuel E. Minas ;
PUBLISHED: 2023, SOURCE: JOURNAL OF CHEMICAL THERMODYNAMICS, VOLUME: 182
INDEXED IN: Scopus WOS CrossRef
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