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Berland, Kristian; S?dahl, Elin Dypvik; Seyedraoufi, Seyedmojtaba; Nilsen, Ola; G?rbitz, Carl Henrik & Walker, Julian Bradley
[Vis alle 7 forfattere av denne artikkelen]
(2025).
Ferroelectric and piezoelectric molecular crystals: From database mining to computational design.
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Bjor?, Charlotte Sletten; G?rbitz, Carl Henrik & Bratlie, Sigrid
(2024).
Abels t?rn.
[Radio].
NRK.
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S?dahl, Elin Dypvik; Seyedraoufi, Seyedmojtaba; Balagopan, Manjunath; Walker, Julian Bradley; G?rbitz, Carl Henrik & Helland-Madsen, Georg
[Vis alle 8 forfattere av denne artikkelen]
(2024).
Computational modeling of ferroelectric and piezoelectric plastic crystals?.
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S?dahl, Elin Dypvik; Seyedraoufi, Seyedmojtaba; G?rbitz, Carl Henrik & Berland, Kristian
(2024).
Screening the CSD to identify ferroelectric plastic crystals.
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Jemterud, Torkild; Roberts, Aubrey Jane; G?rbitz, Carl Henrik & Einevoll, Gaute
(2024).
Abels t?rn.
[Radio].
NRK P2.
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Seyedraoufi, Seyedmojtaba; S?dahl, Elin Dypvik; G?rbitz, Carl Henrik & Berland, Kristian
(2024).
Database mining and first-principles assessment of organic proton-transfer ferroelectrics.
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Engebretsen, Solveig; G?rbitz, Carl Henrik; Ellingsen, Kristian & Jemterud, Torkild
(2024).
Abels t?rn: Hva er de ti sterkeste dyrene?
[Radio].
NRK P2.
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Roberts, Aubrey Jane; G?rbitz, Carl Henrik; Mossige, Joachim; Samset, Bj?rn Hallvard & Uggerud, Einar
(2023).
Abels T?rn.
[Radio].
NRK P3 EKKO.
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Seyedraoufi, Seyedmojtaba; S?dahl, Elin Dypvik; Berland, Kristian & G?rbitz, Carl Henrik
(2023).
Database mining and first-principles assessment of organic proton-transfer ferroelectrics.
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Seyedraoufi, Seyedmojtaba; S?dahl, Elin Dypvik; Berland, Kristian & G?rbitz, Carl Henrik
(2022).
Database mining and first-principles assessment of organic proton-transfer molecular ferroelectrics.
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S?dahl, Elin Dypvik; Walker, Julian Bradley; Seyedraoufi, Seyedmojtaba; G?rbitz, Carl Henrik & Berland, Kristian
(2022).
Ferroelectric molecular crystals – Discovering and modeling of unknown properties in known materials.
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Friedman, Yael; Watzl, Sebastian; Oftedal, Gry & G?rbitz, Carl Henrik
(2022).
Kurering, heling og habilitering.
Tidsskrift for Den norske legeforening (Tidsskriftet).
ISSN 0029-2001.
142(5).
doi:
10.4045/tidsskr.21.0653.
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S?dahl, Elin Dypvik; Seyedraoufi, Seyedmojtaba; G?rbitz, Carl Henrik & Berland, Kristian
(2022).
Molecular ferroelectric crystals: Discovering new sustainable ferroelectrics.
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Friedman, Yael; Watzl, Sebastian; Oftedal, Gry & G?rbitz, Carl Henrik
(2021).
Hva betyr ?? bli bra? etter helseproblemer? Tre ord kan hjelpe oss ? v?re tydeligere.
Aftenposten Viten.
ISSN 2464-3033.
s. 28–29.
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S?dahl, Elin Dypvik; G?rbitz, Carl Henrik & Berland, Kristian
(2021).
Mining the Cambridge Structural Database for substituted structures to guide rational design of organic molecular crystals?.
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G?rbitz, Carl Henrik; Jakobsen, Kjetill Sigurd; Sandve, Simen R?d; Goks?yr, Anders; Brautaset, Trygve & J?rgensen, Trond ?.
(2019).
Den sjette masseutryddelse og Jordens DNA.
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Nols?e, Jens Mortansson Jelstrup; Stenstr?m, Yngve H.; Antonsen, Simen Gjelseth; Hansen, Trond Vidar; R?hr, ?smund Kjendseth & Nesman, Jannicke Irina
[Vis alle 8 forfattere av denne artikkelen]
(2019).
Total Synthesis of (?)-Mucosin and Structural Revision.
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Antonsen, Simen Gjelseth; Nols?e, Jens Mortansson Jelstrup; Stenstr?m, Yngve H.; Hansen, Trond Vidar; R?hr, ?smund Kjendseth & Nesman, Jannicke Irina
[Vis alle 8 forfattere av denne artikkelen]
(2018).
Total Synthesis of (?)-Mucosin
and Structural Revision.
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Nols?e, Jens Mortansson Jelstrup; Antonsen, Simen Gjelseth; Nesman, Jannicke Irina; Hansen, Trond Vidar; Stenstr?m, Yngve H. & G?rbitz, Carl Henrik
[Vis alle 8 forfattere av denne artikkelen]
(2018).
Total Synthesis of (?)-Mucosin and Structural Revision.
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Kristianslund, Renate; Aursnes, Marius; Tungen, J?rn Eivind; G?rbitz, Carl Henrik & Hansen, Trond Vidar
(2018).
Enantioselective bromolactonization using chiral squaramides - Application in the total synthesis of (-)-sielboldianin A.
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Nols?e, Jens Mortansson Jelstrup; Antonsen, Simen Gjelseth; Gallantree-Smith, Harrison Christopher; G?rbitz, Carl Henrik; Hansen, Trond Vidar & Stenstr?m, Yngve H.
(2018).
Total synthesis targeting structural elucidation of marine hydrindane natural products.
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G?rbitz, Carl Henrik; Bergsaker, Anne Schad; B?ckman, Petter & Jemterud, Torkild
(2018).
Abels t?rn.
[Radio].
Ekko, NRK P2.
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Kristianslund, Renate; Aursnes, Marius; Tungen, J?rn Eivind; G?rbitz, Carl Henrik & Hansen, Trond Vidar
(2017).
Synthesis of (-)-sielboldianin A using a squaramide
catalyzed enantioselective bromolactonization reaction.
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Nols?e, Jens Mortansson Jelstrup; Gallantree-Smith, Harrison; Antonsen, Simen Gjelseth; Gorbitz, Carl Henrik; Hansen, Trond Vidar & Stenstr?m, Yngve
(2017).
Total synthesis based on the originally claimed structure of mucosin.
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Antonsen, Simen Gjelseth; Stenstr?m, Yngve H.; Hansen, Trond Vidar; Gallantree-Smith, Harrison Christopher; Nols?e, Jens Mortansson Jelstrup & G?rbitz, Carl Henrik
(2017).
Total synthesis based on the originally claimed structure of mucosin.
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Day, Graeme M. & Gorbitz, Carl Henrik
(2016).
Introduction to the special issue on crystal structure
prediction.
Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials.
ISSN 2052-5192.
72(4),
s. 435–436.
doi:
10.1107/S2052520616012348.
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Vogt, Yngve; Thorbj?rnsrud, Helen Vikdal; Burschowsky, Daniel; Gorbitz, Carl Henrik & Krengel, Ute
(2015).
Molekylforskning kan gi ny medisin mot tuberkulose.
Apollon : 澳门葡京手机版app下载smagasin for Universitetet i Oslo.
ISSN 0803-6926.
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Lausund, Kristian Blindheim; Wilson, Steven Ray Haakon; Gorbitz, Carl Henrik; Lundanes, Elsa & Nilsen, Ola
(2015).
Nano-filters for blood sample analysis.
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Jemterud, Torkild; Wenn, Camilla Cecilie; Holm, Sverre & Gorbitz, Carl Henrik
(2015).
Tidskapsler - og andre sp?rsm?l.
[Radio].
NRK Ekko - Abels t?rn.
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Lausund, Kristian Blindheim; Wilson, Steven Ray Haakon; Gorbitz, Carl Henrik; Lundanes, Elsa & Nilsen, Ola
(2015).
Porous inorganic-organic hybrid materials by ALD.
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Lausund, Kristian Blindheim; Wilson, Steven Ray Haakon; Gorbitz, Carl Henrik; Lundanes, Elsa & Nilsen, Ola
(2015).
Deposition of organic-inorganic hybrid films of Zr-1,4-BDC by ALD.
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Lausund, Kristian Blindheim; Wilson, Steven Ray Haakon; Gorbitz, Carl Henrik; Lundanes, Elsa & Nilsen, Ola
(2015).
Nano-filters for Blood Sample Analysis.
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Holmsen, Marte Sofie; Gorbitz, Carl Henrik; ?ien, Sigurd & Tilset, Mats
(2014).
Synthesis, Structure and Dynamics of New Rh(III) N-Heterocyclic Carbene Complexes.
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Hammami, Amir; H?iland, Klaus & Gorbitz, Carl Henrik
(2014).
Abels T?rn.
[Radio].
EKKO, NRK P2.
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Holmsen, Marte Sofie; Gorbitz, Carl Henrik; ?ien, Sigurd & Tilset, Mats
(2014).
Synthesis, structure and dynamics of new Rh(III) N-heterocyclic carbene complexes.
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Holmsen, Marte Sofie; G?rbitz, Carl Henrik; ?ien, Sigurd & Tilset, Mats
(2014).
Synthesis, structure and dynamics of new Rh(III) N-heterocyclic carbene complexes.
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Holmsen, Marte Sofie; Gorbitz, Carl Henrik; ?ien, Sigurd & Tilset, Mats
(2014).
Synthesis, structure and dynamics of new Rh(III) N-heterocyclic carbene complexes.
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Siah, Huey San Melanie; Gundersen, Lise-Lotte & Gorbitz, Carl Henrik
(2011).
NMR and X-ray structural studies of 3-benzyl-8-bromoadenine.
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Berland, Kristian; G?rbitz, Carl Henrik & S?dahl, Elin Dypvik
(2024).
Molecular ferroelectric plastic crystals : computational modeling and discovery.
Norges milj?- og biovitenskapelige universitet (NMBU).
Vis sammendrag
In recent years, ferroelectric molecular crystals, specifically those with globular molecules, have gained interest due to their rapid ferroelectric switching, high Curie temperatures, and multiaxial ferroelectricity. These materials can host mesophases characterized by an orientational disorder of their molecular species. Close-packed mesophase materials can be malleable and ductile, and are thus called plastic crystals. Their unique mechanical properties are enabled by numerous slip planes and broken intermolecular bonds due to molecular rotation. This thesis focuses on the computational discovery and modeling of mesophase molecular ferroelectrics. While there is some insight into the ferroelectric mechanisms in plastic crystals, their piezoelectric mechanisms are less explored. Density functional theory (DFT) computations for a selection of known ferroelectrics found that materials composed of globular species showed sizable shear piezoelectric responses due to molecular rotations under strain. Systems with higher hydrogen-bond density show smaller responses, as these bonds can hinder rotation. The plastic crystals displayed small dielectric responses and large compliance, resulting in a large electromechanical coupling factor and thus potential for energy harvesting application. A combined experimental and theoretical study of tetraethylammonium bromotrichloroferrite found that the material exhibits a small and stable piezoelectric response, which together with the small elastic moduli makes the material inhabiting a unique parameter space. Despite the growing interest, there are still fairly few reported ferroelectric molecular crystals. This motivated a screening study of the Cambridge Structural Database to identify ferroelectrics likely to display a disordered mesophase. Crystal structures, molecular geometry, and hydrogen-bond patterns were investigated to find materials that allow for molecular reorientation. Out of the 75 materials identified, 54 had not been studied for ferroelectric and related properties earlier. Furthermore, 20 of these were found likely to exhibit a plastic mesophase. DFT computations predicted spontaneous polarization above 10 ?C/cm 2 for 17 materials with room-temperature ferroelectric phases, making them promising for technological applications. To gain an understanding of the dynamical disorder in molecular ferroelectrics, we employed a machine-learned force field (MLFF) to study the temperature-dependent behavior of HdaboClO4 . The molecular dynamics (MD) simulations provided a prediction of the thermal expansion and molecular reorientation in line with experimental measurements. MLFFs can give insight into chemical reactions, as they do not demand pre-defined bonding patterns. This enabled the study of proton transfer, revealing both an increasing transfer frequency at elevated temperatures and the change in orientation of hydrogen-bonded chains of Hdabco + molecules. The combination of DFT and MD with MLFFs makes a well-equipped toolbox to investigate the ferroelectric, piezoelectric, and dynamical properties of this promising group of materials. Combining these approaches with database screening can accelerate the development of materials for technological applications.
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Zawadzka, Malgorzata Elzbieta; Wilson, Steven Ray Haakon & G?rbitz, Carl Henrik
(2016).
Unravelling nature s sunglasses – Identifying the compound that protects bird eyes.
Universitetet i Oslo.
Vis sammendrag
Ultraviolet (UV) protection is crucial for all living organisms as it can cause serious harm damaging the DNA of cells and leading to conditions such as cataracts, blindness and skin cancer. Many animals can either produce their own sunscreen compound or acquire it in their diet. Goose eyes contain a single, unknown component (“Compound X”) that dominates the UV absorbing profile of the goose eye chamber fluid and with its high absorbance functions as natural sunglasses for geese.
The aim of this study was to identify “Compound X” using various established analytical techniques and methods, as well as develop a new one; the concept of temperature programming crystallization prior to single crystal X-ray diffractometric analysis for limited samples was explored.
High performance liquid chromatography (HPLC)-UV analysis confirmed the presence of a single compound with a maximum absorption of 254 nm, implying the presence of an aromatic ring. MS analysis implied a molar mass of 149.05 g/mol, and presence of hydroxyl group and carbon chain containing methyl group. As the “Compound X” crystallized in the form of fibers, it was not possible to conduct single crystal X-ray diffraction (SCXRD) analysis on the available diffractometer.
When using model compounds, crystals obtained with temperature programming were suitable for SCXRD analysis. Further experimentation with this technique may open possibilities for structure elucidation of the “Compound X” and other new compounds in small samples.
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Alebachew, Fassil & G?rbitz, Carl Henrik
(2016).
X-ray structural investigation of protected oligopeptides as model compounds for the development of aquaporin inhibitors.
Universitetet i Oslo.
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