0000000000364769

AUTHOR

Kristaps Saršu̅ns

0000-0002-8692-7768

showing 3 related works from this author

Solid Solutions in the Xanthone–Thioxanthone Binary System: How Well Are Similar Molecules Discriminated in the Solid State?

2020

The binary system of xanthone–thioxanthone has been explored, showing that two solid solutions (formed based on xanthone and thioxanthone parent structures, respectively) exist for this system. One...

chemistry.chemical_compoundchemistryComputational chemistryXanthoneSolid-stateMoleculeGeneral Materials ScienceGeneral ChemistryBinary systemCondensed Matter PhysicsThioxanthoneSolid solutionCrystal Growth & Design
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On the Rationalization of Formation of Solvates: Experimental and Computational Study of Solid Forms of Several Nitrobenzoic Acid Derivatives

2020

Analysis of crystal structures, molecular properties, interaction strength in solution and computationally generated non-solvated form solid form landscapes of five chloronitrobenzoic acid isomers ...

010405 organic chemistryRationalization (psychology)Interaction strengthGeneral ChemistryCrystal structure010402 general chemistryCondensed Matter Physics01 natural sciences0104 chemical scienceschemistry.chemical_compoundchemistryComputational chemistryNitrobenzoic acidGeneral Materials ScienceCrystal Growth & Design
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Prediction of Solid Solution Formation among Chemically Similar Molecules Using Calculation of Lattice and Intermolecular Interaction Energy

2020

Several 2-substituted 4-nitrobenzoic acid (NBA) derivatives such as 2-chloro-4-nitrobenzoic acid (2C4NBA), 2-methyl-4-nitrobenzoic acid (2CH34NBA) and 2-hydroxy-4-nitrobenzoic acid (2OH4NBA) were selected as model compounds because of their availability and chemically similar structures, in which the different group/atom (R) does not significantly affect the dominant intermolecular interactions – hydrogen bonds formed by the carboxylic group [1]. Quantum chemical calculations of lattice and intermolecular interaction energy were carried out to identify possible factors, which could be, used in prediction of the formation of solid solutions (SS) in binary systems of chemically similar molecu…

Materials scienceMechanical Engineeringlaw.inventionchemistry.chemical_compoundchemistryMechanics of MaterialsChemical physicsIntermolecular interactionlawLattice (order)Nitrobenzoic acidMoleculeGeneral Materials ScienceCrystallizationSolid solutionKey Engineering Materials
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