647 related articles for article (PubMed ID: 18925751)
1. Computed crystal energy landscapes for understanding and predicting organic crystal structures and polymorphism.
Price SS
Acc Chem Res; 2009 Jan; 42(1):117-26. PubMed ID: 18925751
[TBL] [Abstract][Full Text] [Related]
2. From crystal structure prediction to polymorph prediction: interpreting the crystal energy landscape.
Price SL
Phys Chem Chem Phys; 2008 Apr; 10(15):1996-2009. PubMed ID: 18688351
[TBL] [Abstract][Full Text] [Related]
3. Conformational polymorphism in organic crystals.
Nangia A
Acc Chem Res; 2008 May; 41(5):595-604. PubMed ID: 18348538
[TBL] [Abstract][Full Text] [Related]
4. Polymorphism in molecular solids: an extraordinary system of red, orange, and yellow crystals.
Yu L
Acc Chem Res; 2010 Sep; 43(9):1257-66. PubMed ID: 20560545
[TBL] [Abstract][Full Text] [Related]
5. How evolutionary crystal structure prediction works--and why.
Oganov AR; Lyakhov AO; Valle M
Acc Chem Res; 2011 Mar; 44(3):227-37. PubMed ID: 21361336
[TBL] [Abstract][Full Text] [Related]
6. Crystal structure prediction and isostructurality of three small organic halogen compounds.
Asmadi A; Kendrick J; Leusen FJ
Phys Chem Chem Phys; 2010 Aug; 12(30):8571-9. PubMed ID: 20532368
[TBL] [Abstract][Full Text] [Related]
7. Predictability of the polymorphs of small organic compounds: crystal structure predictions of four benchmark blind test molecules.
Chan HC; Kendrick J; Leusen FJ
Phys Chem Chem Phys; 2011 Dec; 13(45):20361-70. PubMed ID: 21993855
[TBL] [Abstract][Full Text] [Related]
8. Molecular recognition and crystal energy landscapes: an X-ray and computational study of caffeine and other methylxanthines.
Carlucci L; Gavezzotti A
Chemistry; 2004 Dec; 11(1):271-9. PubMed ID: 15551321
[TBL] [Abstract][Full Text] [Related]
9. Validation of a search technique for crystal structure prediction of flexible molecules by application to piracetam.
Nowell H; Price SL
Acta Crystallogr B; 2005 Oct; 61(Pt 5):558-68. PubMed ID: 16186656
[TBL] [Abstract][Full Text] [Related]
10. A strategy for predicting the crystal structures of flexible molecules: the polymorphism of phenobarbital.
Day GM; S Motherwell WD; Jones W
Phys Chem Chem Phys; 2007 Apr; 9(14):1693-704. PubMed ID: 17396181
[TBL] [Abstract][Full Text] [Related]
11. Computer simulations and analysis of structural and energetic features of some crystalline energetic materials.
Eckhardt CJ; Gavezzotti A
J Phys Chem B; 2007 Apr; 111(13):3430-7. PubMed ID: 17388479
[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. 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]
14. Crystallization force--a density functional theory concept for revealing intermolecular interactions and molecular packing in organic crystals.
Li T; Ayers PW; Liu S; Swadley MJ; Aubrey-Medendorp C
Chemistry; 2009; 15(2):361-71. PubMed ID: 19034948
[TBL] [Abstract][Full Text] [Related]
15. Nucleation of crystals from solution: classical and two-step models.
Erdemir D; Lee AY; Myerson AS
Acc Chem Res; 2009 May; 42(5):621-9. PubMed ID: 19402623
[TBL] [Abstract][Full Text] [Related]
16. Characterization of complicated new polymorphs of chlorothalonil by X-ray diffraction and computer crystal structure prediction.
Tremayne M; Grice L; Pyatt JC; Seaton CC; Kariuki BM; Tsui HH; Price SL; Cherryman JC
J Am Chem Soc; 2004 Jun; 126(22):7071-81. PubMed ID: 15174878
[TBL] [Abstract][Full Text] [Related]
17. Predicting crystal structures of organic compounds.
Price SL
Chem Soc Rev; 2014 Apr; 43(7):2098-111. PubMed ID: 24263977
[TBL] [Abstract][Full Text] [Related]
18. Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs.
Karamertzanis PG; Day GM; Welch GW; Kendrick J; Leusen FJ; Neumann MA; Price SL
J Chem Phys; 2008 Jun; 128(24):244708. PubMed ID: 18601366
[TBL] [Abstract][Full Text] [Related]
19. Why don't we find more polymorphs?
Price SL
Acta Crystallogr B Struct Sci Cryst Eng Mater; 2013 Aug; 69(Pt 4):313-28. PubMed ID: 23873056
[TBL] [Abstract][Full Text] [Related]
20. How to quantify energy landscapes of solids.
Oganov AR; Valle M
J Chem Phys; 2009 Mar; 130(10):104504. PubMed ID: 19292538
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
