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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
45
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
46
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
47
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
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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
49
TITLE: Modeling Halogen Bonds in Ionic Liquids: A Force Field for Imidazolium and Halo-Imidazolium Derivatives
AUTHORS: Bernardes, CES ; Lopes, JNC ;
PUBLISHED: 2017, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 13, ISSUE: 12
INDEXED IN: Scopus WOS CrossRef: 10
50
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
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