These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
9. Energy-Structure-Function Maps: Cartography for Materials Discovery. Day GM; Cooper AI Adv Mater; 2018 Sep; 30(37):e1704944. PubMed ID: 29205536 [TBL] [Abstract][Full Text] [Related]
10. Prediction and theoretical characterization of p-type organic semiconductor crystals for field-effect transistor applications. Atahan-Evrenk S; Aspuru-Guzik A Top Curr Chem; 2014; 345():95-138. PubMed ID: 24577609 [TBL] [Abstract][Full Text] [Related]
11. Experimental Confirmation of a Predicted Porous Hydrogen-Bonded Organic Framework. Shields CE; Wang X; Fellowes T; Clowes R; Chen L; Day GM; Slater AG; Ward JW; Little MA; Cooper AI Angew Chem Int Ed Engl; 2023 Aug; 62(34):e202303167. PubMed ID: 37021635 [TBL] [Abstract][Full Text] [Related]
12. Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test. Day GM; Cooper TG; Cruz-Cabeza AJ; Hejczyk KE; Ammon HL; Boerrigter SX; Tan JS; Della Valle RG; Venuti E; Jose J; Gadre SR; Desiraju GR; Thakur TS; van Eijck BP; Facelli JC; Bazterra VE; Ferraro MB; Hofmann DW; Neumann MA; Leusen FJ; Kendrick J; Price SL; Misquitta AJ; Karamertzanis PG; Welch GW; Scheraga HA; Arnautova YA; Schmidt MU; van de Streek J; Wolf AK; Schweizer B Acta Crystallogr B; 2009 Apr; 65(Pt 2):107-25. PubMed ID: 19299868 [TBL] [Abstract][Full Text] [Related]
13. Photoactuators Based on Plastically Flexible α-Cyanostilbene Molecular Crystals Driven by the Solid-State [2+2] Cycloaddition Reaction. Wei Y; Chen K; Zhu S; Wu W; Zhao H; Huang X; Wang N; Zhou L; Wang T; Wang J; Hao H Small; 2024 Apr; 20(14):e2307756. PubMed ID: 37987091 [TBL] [Abstract][Full Text] [Related]
14. Nonporous Adaptive Crystals of Pillararenes. Jie K; Zhou Y; Li E; Huang F Acc Chem Res; 2018 Sep; 51(9):2064-2072. PubMed ID: 30011181 [TBL] [Abstract][Full Text] [Related]
15. A third blind test of crystal structure prediction. Day GM; Motherwell WD; Ammon HL; Boerrigter SX; Della Valle RG; Venuti E; Dzyabchenko A; Dunitz JD; Schweizer B; van Eijck BP; Erk P; Facelli JC; Bazterra VE; Ferraro MB; Hofmann DW; Leusen FJ; Liang C; Pantelides CC; Karamertzanis PG; Price SL; Lewis TC; Nowell H; Torrisi A; Scheraga HA; Arnautova YA; Schmidt MU; Verwer P Acta Crystallogr B; 2005 Oct; 61(Pt 5):511-27. PubMed ID: 16186652 [TBL] [Abstract][Full Text] [Related]
16. Crystal structure prediction of flexible pharmaceutical-like molecules: density functional tight-binding as an intermediate optimisation method and for free energy estimation. Iuzzolino L; McCabe P; Price SL; Brandenburg JG Faraday Discuss; 2018 Oct; 211(0):275-296. PubMed ID: 30035288 [TBL] [Abstract][Full Text] [Related]
17. Solid-State NMR-Driven Crystal Structure Prediction of Molecular Crystals: The Case of Mebendazole. Bravetti F; Bordignon S; Alig E; Eisenbeil D; Fink L; Nervi C; Gobetto R; Schmidt MU; Chierotti MR Chemistry; 2022 Jan; 28(6):e202103589. PubMed ID: 34962330 [TBL] [Abstract][Full Text] [Related]
18. Crystal Structure Prediction Methods for Organic Molecules: State of the Art. Bowskill DH; Sugden IJ; Konstantinopoulos S; Adjiman CS; Pantelides CC Annu Rev Chem Biomol Eng; 2021 Jun; 12():593-623. PubMed ID: 33770462 [TBL] [Abstract][Full Text] [Related]
19. Kinetic products in coordination networks: ab initio X-ray powder diffraction analysis. Martí-Rujas J; Kawano M Acc Chem Res; 2013 Feb; 46(2):493-505. PubMed ID: 23252592 [TBL] [Abstract][Full Text] [Related]
20. Organic Crystal Packing Is Key to Determining the Photomechanical Response. Cook CJ; Perry CJ; Beran GJO J Phys Chem Lett; 2023 Aug; 14(30):6823-6831. PubMed ID: 37487003 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]