Crystal Growth & Design
Page 28 of 31
1
2
3
4
5
6
7
8
9
(30) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J.
R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.;
Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada,
M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.;
Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark,
M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.;
Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.;
Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.;
Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.;
Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador,
P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, Ö.; Foresman, J. B.; Ortiz, J. V.;
Cioslowski, J.; Fox, D. J. Gaussian 09, Revision D.01; Gaussian, Inc., Wallingford CT, 2009.
(31) Parr, R. G.; Yang, W. Density-Functional Theory of Atoms and Molecules New York: Oxford
University Press, 1989.
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
(32) Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti correlation-energy formula
into a functional of the electron density. Phys. Rev. 1988, 37, 785-789.
(33) Chai, J. D.; Head-Gordon, M. Long-range corrected hybrid density functionals with damped
atom–atom dispersion corrections. Phys. Chem. Chem. Phys., 2008, 10, 6615-6620.
(34) Shearer, C. M. Guanabenz acetate. InAnalytical Profiles of Drug Substances. Anal. Profiles
Drug Subst., 1986, 15, 319-336.
(35) Tao, J.; Jones, K. J.; Yu, L. Cross-nucleation between D-mannitol polymorphs in seeded
crystallization. Cryst. Growth Des. 2007, 7, 2410-2414.
(36) Chandran, S. K.; Nangia, A. Modulated crystal structure (Z′= 2) of α-d-glucofuranose-1, 2∶
3, 5-bis (p-tolyl) boronate. CrystEngComm, 2006, 8, 581-585.
(37) Desiraju, G. R. On the presence of multiple molecules in the crystal asymmetric unit (Z′>
1). CrystEngComm, 2007, 9, 91-92.
(38) McKinnon, J. J.; Jayatilaka, D.; Spackman, M. A. Towards quantitative analysis of
intermolecular interactions with Hirshfeld surfaces. Chem. Commun. 2007, 3814-3816.
(39) Spackman, M. A.; Jayatilaka, D. Hirshfeld surface analysis. CrystEngComm 2009, 11, 19-
32.
(40) Bernstein, J. Polymorphism− a perspective. Cryst. Growth Des. 2011, 11, 632-650.
ACS Paragon Plus Environment
28