FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2746305412> ?p ?o ?g. }

• W2746305412 endingPage "4324" @default.
• W2746305412 startingPage "4319" @default.
• W2746305412 abstract "We report systematic temperature-dependent X-ray measurements on the most stable carbamazepine polymorph. This active pharmaceutical ingredient is used to demonstrate how the thermal expansion can probe certain intermolecular interactions resulting in anisotropic expansion behavior. We show that most structural features can be captured by electronic structure calculations at the quasi-harmonic approximation (QHA) provided a dispersion-corrected density functional based method is employed. The impact of thermal expansion on the phonon modes and hence free energy contributions is large enough to impact the relative stability of different polymorphs." @default.
• W2746305412 created "2017-08-31" @default.
• W2746305412 creator A5003474186 @default.
• W2746305412 creator A5004624405 @default.
• W2746305412 creator A5054384460 @default.
• W2746305412 creator A5079375529 @default.
• W2746305412 creator A5084352715 @default.
• W2746305412 date "2017-08-29" @default.
• W2746305412 modified "2023-10-17" @default.
• W2746305412 title "Thermal Expansion of Carbamazepine: Systematic Crystallographic Measurements Challenge Quantum Chemical Calculations" @default.
• W2746305412 cites W116239404 @default.
• W2746305412 cites W1503942628 @default.
• W2746305412 cites W1595489286 @default.
• W2746305412 cites W1806678588 @default.
• W2746305412 cites W1807152589 @default.
• W2746305412 cites W1955431138 @default.
• W2746305412 cites W1972363204 @default.
• W2746305412 cites W1979368277 @default.
• W2746305412 cites W1981368803 @default.
• W2746305412 cites W1982595063 @default.
• W2746305412 cites W1987436235 @default.
• W2746305412 cites W1993720747 @default.
• W2746305412 cites W1997076024 @default.
• W2746305412 cites W2002804833 @default.
• W2746305412 cites W2005596689 @default.
• W2746305412 cites W2022696619 @default.
• W2746305412 cites W2035896903 @default.
• W2746305412 cites W2043826811 @default.
• W2746305412 cites W2056963548 @default.
• W2746305412 cites W2058210013 @default.
• W2746305412 cites W2078146328 @default.
• W2746305412 cites W2079417810 @default.
• W2746305412 cites W2086198522 @default.
• W2746305412 cites W2092077040 @default.
• W2746305412 cites W2092157292 @default.
• W2746305412 cites W2100122241 @default.
• W2746305412 cites W2107955565 @default.
• W2746305412 cites W2111533830 @default.
• W2746305412 cites W2123306226 @default.
• W2746305412 cites W2150812571 @default.
• W2746305412 cites W2169858698 @default.
• W2746305412 cites W2178878736 @default.
• W2746305412 cites W2186430198 @default.
• W2746305412 cites W2276458501 @default.
• W2746305412 cites W2293458285 @default.
• W2746305412 cites W2302521423 @default.
• W2746305412 cites W2321862370 @default.
• W2746305412 cites W2323206702 @default.
• W2746305412 cites W2327161550 @default.
• W2746305412 cites W2332103695 @default.
• W2746305412 cites W2336270984 @default.
• W2746305412 cites W2337403656 @default.
• W2746305412 cites W2397622277 @default.
• W2746305412 cites W2398917815 @default.
• W2746305412 cites W2408674120 @default.
• W2746305412 cites W2431778948 @default.
• W2746305412 cites W2468748436 @default.
• W2746305412 cites W2495531244 @default.
• W2746305412 cites W2507599630 @default.
• W2746305412 cites W2542587922 @default.
• W2746305412 cites W2567116659 @default.
• W2746305412 cites W2588401523 @default.
• W2746305412 cites W2594782718 @default.
• W2746305412 cites W2603690735 @default.
• W2746305412 cites W2612387035 @default.
• W2746305412 cites W2737427399 @default.
• W2746305412 doi "https://doi.org/10.1021/acs.jpclett.7b01944" @default.
• W2746305412 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28841023" @default.
• W2746305412 hasPublicationYear "2017" @default.
• W2746305412 type Work @default.
• W2746305412 sameAs 2746305412 @default.
• W2746305412 citedByCount "48" @default.
• W2746305412 countsByYear W27463054122018 @default.
• W2746305412 countsByYear W27463054122019 @default.
• W2746305412 countsByYear W27463054122020 @default.
• W2746305412 countsByYear W27463054122021 @default.
• W2746305412 countsByYear W27463054122022 @default.
• W2746305412 crossrefType "journal-article" @default.
• W2746305412 hasAuthorship W2746305412A5003474186 @default.
• W2746305412 hasAuthorship W2746305412A5004624405 @default.
• W2746305412 hasAuthorship W2746305412A5054384460 @default.
• W2746305412 hasAuthorship W2746305412A5079375529 @default.
• W2746305412 hasAuthorship W2746305412A5084352715 @default.
• W2746305412 hasBestOaLocation W27463054121 @default.
• W2746305412 hasConcept C121332964 @default.
• W2746305412 hasConcept C147597530 @default.
• W2746305412 hasConcept C152365726 @default.
• W2746305412 hasConcept C159467904 @default.
• W2746305412 hasConcept C166950319 @default.
• W2746305412 hasConcept C177150819 @default.
• W2746305412 hasConcept C177562468 @default.
• W2746305412 hasConcept C178790620 @default.
• W2746305412 hasConcept C185592680 @default.
• W2746305412 hasConcept C192562407 @default.
• W2746305412 hasConcept C24169881 @default.
• W2746305412 hasConcept C26873012 @default.
• W2746305412 hasConcept C32909587 @default.
• W2746305412 hasConcept C47463417 @default.

• next