Author: Agris Bērziņš

0000000000922638

AUTHOR

Agris Bērziņš

Farmaceitiski aktīvo cietvielu solvātu veidošanās, stabilitāte un fāžu pārejas

Elektroniskā versija nesatur pielikumus

Computational Study of Association of Dihydroxybenzoic Acids in Solution: Testing the Molecular Self-Association Computational Methodology for Formation of Binary Systems

Already validated methodology for self-association in solutions were used to evaluate if this method could also be used in other studies regarding association in solution. Three isomeric dihydroxybenzoic acids were used to calculate Gibbs free energies of association for homodimers, heterotetramers and associates with solvent molecules by using DFT calculations in multiple environments and having different conformations.

0000000000922638

AUTHOR

Agris Bērziņš

Farmaceitiski aktīvo cietvielu solvātu veidošanās, stabilitāte un fāžu pārejas

Computational Study of Association of Dihydroxybenzoic Acids in Solution: Testing the Molecular Self-Association Computational Methodology for Formation of Binary Systems

Influence of Crystallization Additives on Morphology of Selected Benzoic Acids - A Molecular Dynamics (MD) Simulation Study

Solid-state NMR and computational investigation of solvent molecule arrangement and dynamics in isostructural solvates of droperidol.

Ksilazīna hidrogēnhlorīda kristāliskās formas un līdzsvars starp hidrātu un bezūdens formu

Prediction of Solid Solution Formation among Chemically Similar Molecules Using Calculation of Lattice and Intermolecular Interaction Energy

Crystallographic Study of Solvates and Solvate Hydrates of an Antibacterial Furazidin

CCDC 2122147: Experimental Crystal Structure Determination

CCDC 1051734: Experimental Crystal Structure Determination

CCDC 1895188: Experimental Crystal Structure Determination

CCDC 2121374: Experimental Crystal Structure Determination

CCDC 2077764: Experimental Crystal Structure Determination

CCDC 1895194: Experimental Crystal Structure Determination

CCDC 1916269: Experimental Crystal Structure Determination

CCDC 1895196: Experimental Crystal Structure Determination

CCDC 1916266: Experimental Crystal Structure Determination

CCDC 1916267: Experimental Crystal Structure Determination

CCDC 1895193: Experimental Crystal Structure Determination

CCDC 2122145: Experimental Crystal Structure Determination

CCDC 1895198: Experimental Crystal Structure Determination

CCDC 1895189: Experimental Crystal Structure Determination

CCDC 2122135: Experimental Crystal Structure Determination

CCDC 1051733: Experimental Crystal Structure Determination

CCDC 1895195: Experimental Crystal Structure Determination

CCDC 1895199: Experimental Crystal Structure Determination

CCDC 2077765: Experimental Crystal Structure Determination

CCDC 1051731: Experimental Crystal Structure Determination

CCDC 2122164: Experimental Crystal Structure Determination

CCDC 928882: Experimental Crystal Structure Determination

CCDC 1895190: Experimental Crystal Structure Determination

CCDC 1895192: Experimental Crystal Structure Determination

CCDC 922708: Experimental Crystal Structure Determination

CCDC 2122176: Experimental Crystal Structure Determination

CCDC 1916268: Experimental Crystal Structure Determination

CCDC 922164: Experimental Crystal Structure Determination

CCDC 2077766: Experimental Crystal Structure Determination

CCDC 1051732: Experimental Crystal Structure Determination

CCDC 1895191: Experimental Crystal Structure Determination

CCDC 1895197: Experimental Crystal Structure Determination

CCDC 1587797: Experimental Crystal Structure Determination

CCDC 1587798: Experimental Crystal Structure Determination

CCDC 2121392: Experimental Crystal Structure Determination