Role of molecular orientation and surface relaxation on vapor growth shape of molecular crystals

Crystal Growth and Design

Volumn 12, Issue 2, 2012, Pages 732-741

  Singh, M K ^a   Banerjee, Arup ^a   Gupta, P K ^a  

^a RAJA RAMANNA CENTRE FOR ADVANCED TECHNOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO TOTAL ENERGY; ATOMIC ENVIRONMENT; CRYSTAL SURFACES; EQUILIBRIUM MORPHOLOGY; EQUILIBRIUM SHAPE; EXPERIMENTAL OBSERVATION; HARTREE-FOCK; HARTREE-FOCK METHODS; INTERPLANAR DISTANCE; POLAR GROWTH; SUCCINIC ACIDS; UREA CRYSTALS; VAPOR GROWTH; VAPOR PHASE;

ADSORPTION; CALCULATIONS; CRYSTAL ATOMIC STRUCTURE; METABOLISM; MOLECULAR CRYSTALS; MOLECULAR PHYSICS; MORPHOLOGY; QUANTUM CHEMISTRY; SURFACE RELAXATION; TWO DIMENSIONAL; UREA; VAPORS;

MOLECULAR ORIENTATION;

EID: 84857998134     PISSN: 15287483     EISSN: 15287505     Source Type: Journal    
DOI: 10.1021/cg201047k     Document Type: Article

References (50)

1. Smith C. S. In A Search for Structure; Selected Essays on Science, Art, and History; MIT Press: Cambridge, MA, 1981.
2. Bravais A. Etudes Cristallographiques; Gauthier-Villars: Paris, France, 1866.
3. Friedel G. Bull. Soc. Franc. Mineral. 1907, 30, 326-455.
4. Donnay J. D. H.; Harker D. Am. Mineral. 1937, 22, 446-467.
5. Hartman P.; Perdok W. G. Acta Crystallogr. 1955, 8, 49-52.
6. Hartman P. In Crystal Growth: An Introduction; Hartman P., Eds.; North Holland: Amsterdam, 1973; Chapter 14, pp 367-402.
7. Bennema P. In Handbook of Crystal Growth; Hurle D. T. J., Eds.; Elsevier Science Publishers: Amsterdam, 1993; Vol. 1a, Chapter 7, pp 477-581.
8. Hartman P.; Bennema P. J. Crystal Growth 1980, 49, 145-156.
9. Berkovitch-Yellin Z.; van Mil J.; Addadi L.; Idelson M.; Lahav M.; Leiserowitz L. J. Am. Chem. Soc. 1985, 107, 3111-3122.
10. Lahav M.; Leiserowitz L. Chem. Eng. Sci. 2001, 56, 2245-2253.
11. Liu X. Y.; Boek E. S.; Briels W. J.; Bennema P. Nature 1995, 374, 342-345.
12. Liu X. Y.; Bennema P. Phys. Rev. B 1994, 49, 765-775.
13. Liu X. Y.; Boek E. S.; Briels W. J. J. Chem. Phys. 1995, 103, 3747-3754.
14. Liu X. Y.; Bennema P. Phys. Rev. B 1996, 53, 2314-2325.
15. Liu X. Y. Phys. Rev. B 1999, 60, 2810-2817.
16. De Vries S. A.; Goedtkindt P.; Bennett S. L.; Huisman W. J.; Zwanenburg M. J.; Smilgies D.-M.; De Yoreo J. J.; van Enckevort W. J. P.; Bennema P.; Vlieg E. Phys. Rev. Lett. 1998, 80, 2229-2232.
17. Strom C. S. J. Cryst. Growth 2001, 222, 298-310.
18. George A. R; Harris K. D. M.; Rohl A. L.; Gay D. H. J. Mater. Chem. 1995, 5, 133-139.
19. Docherty R.; Roberts K. J.; Saunders V.; Black S.; Davey R. J. Faraday Discuss. 1993, 95, 11-25.
20. Feigelson R. S.; Route R. K.; Kao T.-M. J. Cryst. Growth 1985, 72, 585-594.
21. Boek E. S.; Feil D.; Briels W. J.; Bennema P. J. Cryst. Growth 1991, 114, 389-410.
22. Bisker-Leib V.; Doherty M. F. Cryst. Growth Des. 2001, 1, 455-461.
23. Engkvist O.; Price S. L.; Stone A. J. Phys. Chem. Chem. Phys. 2000, 2, 3017-3027.
24. Singh M. K.; Banerjee A. Cryst. Res. Tech. 2011, 46, 1035-1043.
25. Berkovitch-Yellin Z. J. Am. Chem. Soc. 1985, 107, 8239-8253.
26. Docherty R.; Roberts K. J. J. Crystal Growth 1988, 88, 159-168.
27. van der Voort E. J. Cryst. Growth 1991, 110, 662-668.
28. Rohl A. L.; Gay D. H. J. Crystal Growth 1996, 166, 84-90.
29. Borc J.; Sangwal K. Surf. Sci. 2004, 555, 1-10.
30. Jiang X. N.; Xu D. J. Appl. Crystallogr. 2003, 36, 1448-1451.
31. Nangia A. In Models, Mysteries and Magic of Molecules; Boeyens J. C. A. Ogilvie J. F., Eds.; Springer, The Netherlands, 2008; Chapter 3, pp 63-86.
32. Dovesi R.; Civalleri, B; Orlando R.; Roetti C.; and Saunders V. R. In Reviews in Computational Chemistry; Lipkowitz K. B.; Larter, R; and Cundari T. R., Eds.; John Wiley & Sons, Inc.: New York, 2005; Vol. 21, Chapter 1, pp 49.
33. Wulff G. Z. Kristallogr. 1901, 34, 449-530.
34. http://www.shapesoftware.com.
35. Dovesi R.; Orlando R.; Civalleri B.; Roetti R.; Saunders V. R.; Zicovich-Wilson C. M. Z. Kristallogr. 2005, 220, 571-573.
36. Dovesi R.; Saunders V. R.; Roetti R.; Orlando R.; Zicovich-Wilson C. M.; Pascale F.; Civalleri B.; Doll K.; Harrison N. M.; Bush I. J.; D'Arco P.; Llunell M. CRYSTAL09 (CRYSTAL09 User's Manual); University of Torino: Torino, 2009.
37. Swaminathan S.; Craven B. M.; McMullan R. K. Acta Crystallogr. Sect. B. 1984, 40, 300-306.
38. Broadley J. S.; Cruickshank D. W. J.; Morrison J. D.; Robertson J. M.; Shearer H. M. M. Proc. R. Soc. London, Ser. A 1959, 251 (No. 1267), 441-457.
39. Boys S. F.; Bernardi F. Mol. Phys. 1970, 19, 553-559.
40. Cox J. D.; Pilcher G. In Thermochemistry of Organic and Organometallic Compounds; Academic Press: New York, 1970.
41. Momany F. A.; Carruthers L. M.; McGuire R. F.; Scheraga H. A. J. Phys. Chem. 1974, 78, 1595-1620.
42. Dovesi R.; Civalleri B.; Orlando R.; Roetti C.; Saunders V. R. Rev. Comput. Chem. 2005, 21, 1-125.
43. Civalleri B.; Doll K.; Zicovich-Wilson C. M. J. Phys. Chem. B. 2007, 111, 26-33.
44. Johansson A.; Kollman P.; Rotherberg S. Theor. Chim. Acta 1973, 29, 167-172.
45. Daudey J. P.; Claverieand P.; Malrieu J. P. Int. J. Quantum Chem. 1974, 8, 1-15.
46. Kim K. S.; Tarakeshwar P.; Lee J. Y. Chem. Rev. 2000, 100, 4145-4185.
47. Koch W.; Holthausen M. C. In A Chemist's Guide to Density Functional Theory; Wiley-VCH Press: Cambridge, MA, 1981; pp 217-238.
48. Dobado J. A.; Molina J.; Portal D. J. Phys. Chem. A 1998, 102, 778-784.
49. Mackrodt W. C.; Davey R. J.; Black S. N.; Docherty R. J. Cryst. Growth 1987, 80, 441-446.
50. Weissbuch I.; Leiserowitz L.; Lahav M. Cryst. Growth Des. 2006, 6, 625-628.