-
1
-
-
82255184282
-
-
S. L. James, C. J. Adams, C. Bolm, D. Braga, P. Collier, T. Friscic, F. Grepioni, K. D. M. Harris, G. Hyett, W. Jones, A. Krebs, J. Mack, L. Maini, A. G. Orpen, I. P. Parkin, W. C. Shearouse, J. W. Steed and D. C. Waddell, Chem. Soc. Rev., 2012, 41, 413-447.
-
(2012)
Chem. Soc. Rev.
, vol.41
, pp. 413-447
-
-
James, S.L.1
Adams, C.J.2
Bolm, C.3
Braga, D.4
Collier, P.5
Friscic, T.6
Grepioni, F.7
Harris, K.D.M.8
Hyett, G.9
Jones, W.10
Krebs, A.11
Mack, J.12
Maini, L.13
Orpen, A.G.14
Parkin, I.P.15
Shearouse, W.C.16
Steed, J.W.17
Waddell, D.C.18
-
3
-
-
79955577702
-
-
A. M. Belenguer, T. Friscic, G. M. Day and J. K. M. Sanders, Chem. Sci., 2011, 2, 696-700.
-
(2011)
Chem. Sci.
, vol.2
, pp. 696-700
-
-
Belenguer, A.M.1
Friscic, T.2
Day, G.M.3
Sanders, J.K.M.4
-
5
-
-
33846503180
-
-
A. J. Cruz Cabeza, G. M. Day, W. D. S. Motherwell and W. Jones, Cryst. Growth Des., 2007, 7, 100-107.
-
(2007)
Cryst. Growth Des.
, vol.7
, pp. 100-107
-
-
Cruz Cabeza, A.J.1
Day, G.M.2
Motherwell, W.D.S.3
Jones, W.4
-
7
-
-
79960923591
-
-
A. V. Kazantsev, P. G. Karamertzanis, C. S. Adjiman, C. C. Pantelides, S. L. Price, P. T. A. Galek, G. M. Day and A. J. Cruz-Cabeza, Int. J. Pharm., 2011, 418, 168-178.
-
(2011)
Int. J. Pharm.
, vol.418
, pp. 168-178
-
-
Kazantsev, A.V.1
Karamertzanis, P.G.2
Adjiman, C.S.3
Pantelides, C.C.4
Price, S.L.5
Galek, P.T.A.6
Day, G.M.7
Cruz-Cabeza, A.J.8
-
8
-
-
84877686726
-
-
M. Baias, C. M. Widdifield, J.-N. Dumez, H. P. G. Thompson, T. G. Cooper, E. Salager, S. Bassil, R. S. Stein, A. Lesage, G. M. Day and L. Emsley, Phys. Chem. Chem. Phys., 2013, 15, 8069-8080.
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 8069-8080
-
-
Baias, M.1
Widdifield, C.M.2
Dumez, J.-N.3
Thompson, H.P.G.4
Cooper, T.G.5
Salager, E.6
Bassil, S.7
Stein, R.S.8
Lesage, A.9
Day, G.M.10
Emsley, L.11
-
9
-
-
84875771409
-
-
R. M. Bhardwaj, L. S. Price, S. L. Price, S. M. Reutzel-Edens, G. J. Miller, I. D. H. Oswald, B. F. Johnston and A. J. Florence, Cryst. Growth Des., 2013, 13, 1602-1617.
-
(2013)
Cryst. Growth Des.
, vol.13
, pp. 1602-1617
-
-
Bhardwaj, R.M.1
Price, L.S.2
Price, S.L.3
Reutzel-Edens, S.M.4
Miller, G.J.5
Oswald, I.D.H.6
Johnston, B.F.7
Florence, A.J.8
-
10
-
-
84874034152
-
-
H. Wu, M. Habgood, J. E. Parker, N. Reeves-McLaren, J. K. Cockcroft, M. Vickers, A. R. West and A. G. Jones, CrystEngComm, 2013, 15, 1853-1859.
-
(2013)
CrystEngComm
, vol.15
, pp. 1853-1859
-
-
Wu, H.1
Habgood, M.2
Parker, J.E.3
Reeves-McLaren, N.4
Cockcroft, J.K.5
Vickers, M.6
West, A.R.7
Jones, A.G.8
-
11
-
-
84873348975
-
-
J. Kendrick, G. A. Stephenson, M. A. Neumann and F. J. J. Leusen, Cryst. Growth Des., 2013, 13, 581-589.
-
(2013)
Cryst. Growth Des.
, vol.13
, pp. 581-589
-
-
Kendrick, J.1
Stephenson, G.A.2
Neumann, M.A.3
Leusen, F.J.J.4
-
13
-
-
25144517646
-
-
J. L. Banks, H. S. Beard, Y. Cao, A. E. Cho, W. Damm, R. Farid, A. K. Felts, T. A. Halgren, D. T. Mainz, J. R. Maple, R. Murphy, D. M. Philipp, M. P. Repasky, L. Y. Zhang, B. J. Berne, R. A. Friesner, E. Gallicchio and R. M. Levy, J. Comput. Chem., 2005, 26, 1752-1780.
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1752-1780
-
-
Banks, J.L.1
Beard, H.S.2
Cao, Y.3
Cho, A.E.4
Damm, W.5
Farid, R.6
Felts, A.K.7
Halgren, T.A.8
Mainz, D.T.9
Maple, J.R.10
Murphy, R.11
Philipp, D.M.12
Repasky, M.P.13
Zhang, L.Y.14
Berne, B.J.15
Friesner, R.A.16
Gallicchio, E.17
Levy, R.M.18
-
16
-
-
84928946037
-
-
Schrödinger, LLC, New York, NY
-
MacroModel, version 10.1, Schrödinger, LLC, New York, NY, 2013.
-
(2013)
MacroModel, Version 10.1
-
-
-
17
-
-
70350118987
-
-
Gaussian, Inc., Wallingford CT
-
Gaussian 09 rev D.01, M. J. T. Frisch G. W.; H. B. Schlegel; G. E. Scuseria; M. A. Robb; J. R. Cheeseman; G. Scalmani; V. Barone; B. Mennucci; G. A. Petersson; H. Nakatsuji; M. Caricato; X. Li; H. P. Hratchian; A. F. Izmaylov; J. Bloino; G. Zheng; J. L. Sonnenberg; M. Hada; M. Ehara; K. Toyota; R. Fukuda; J. Hasegawa; M. Ishida; T. Nakajima; Y. Honda; O. Kitao; H. Nakai; T. Vreven; J. A. Montgomery, Jr.; J. E. Peralta; F. Ogliaro; M. Bearpark; J. J. Heyd; E. Brothers; K. N. Kudin; V. N. Staroverov; R. Kobayashi; J. Normand; K. Raghavachari; A. Rendell; J. C. Burant; S. S. Iyengar; J. Tomasi; M. Cossi; N. Rega; N. J. Millam; M. Klene; J. E. Knox; J. B. Cross; V. Bakken; C. Adamo; J. Jaramillo; R. Gomperts; R. E. Stratmann; O. Yazyev; A. J. Austin; R. Cammi; C. Pomelli; J. W. Ochterski; R. L. Martin; K. Morokuma; V. G. Zakrzewski; G. A. Voth; P. Salvador; J. J. Dannenberg; S. Dapprich; A. D. Daniels; Ö. Farkas; J. B. Foresman; J. V. Ortiz; J. Cioslowski; D. J. Fox, Gaussian, Inc., Wallingford CT, 2009.
-
(2009)
Gaussian 09 Rev D.01
-
-
Frisch, M.J.T.1
W, G.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery, J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Kobayashi, R.38
Normand, J.39
Raghavachari, K.40
Rendell, A.41
Burant, J.C.42
Iyengar, S.S.43
Tomasi, J.44
Cossi, M.45
Rega, N.46
Millam, N.J.47
Klene, M.48
Knox, J.E.49
Cross, J.B.50
Bakken, V.51
Adamo, C.52
Jaramillo, J.53
Gomperts, R.54
Stratmann, R.E.55
Yazyev, O.56
Austin, A.J.57
Cammi, R.58
Pomelli, C.59
Ochterski, J.W.60
Martin, R.L.61
Morokuma, K.62
Zakrzewski, V.G.63
Voth, G.A.64
Salvador, P.65
Dannenberg, J.J.66
Dapprich, S.67
Daniels, A.D.68
Farkas, O.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
-
19
-
-
2442617487
-
-
J. S. Binkley, J. A. Pople and W. J. Hehre, J. Am. Chem. Soc., 1980, 102, 939-947.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 939-947
-
-
Binkley, J.S.1
Pople, J.A.2
Hehre, W.J.3
-
20
-
-
79952943559
-
-
S. Grimme, S. Ehrlich and L. Goerigk, J. Comput. Chem., 2011, 32, 1456-1465.
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 1456-1465
-
-
Grimme, S.1
Ehrlich, S.2
Goerigk, L.3
-
22
-
-
84912094749
-
-
G. M. Day, 2013
-
G. M. Day, 2013.
-
-
-
-
30
-
-
77954960270
-
-
S. L. Price, M. Leslie, G. W. A. Welch, M. Habgood, L. S. Price, P. G. Karamertzanis and G. M. Day, Phys. Chem. Chem. Phys., 2010, 12, 8478-8490.
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 8478-8490
-
-
Price, S.L.1
Leslie, M.2
Welch, G.W.A.3
Habgood, M.4
Price, L.S.5
Karamertzanis, P.G.6
Day, G.M.7
-
32
-
-
84875801636
-
-
Wiley-VCH Verlag GmbH & Co. KGaA
-
A. V. Kazantsev, P. G. Karamertzanis, C. C. Pantelides and C. S. Adjiman, in Process Systems Engineering, Wiley-VCH Verlag GmbH & Co. KGaA, 2011, pp. 1-42.
-
(2011)
Process Systems Engineering
, pp. 1-42
-
-
Kazantsev, A.V.1
Karamertzanis, P.G.2
Pantelides, C.C.3
Adjiman, C.S.4
-
33
-
-
58149174053
-
-
T. G. Cooper, K. E. Hejczyk, W. Jones and G. M. Day, J. Chem. Theory Comput., 2008, 4, 1795-1805.
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 1795-1805
-
-
Cooper, T.G.1
Hejczyk, K.E.2
Jones, W.3
Day, G.M.4
-
35
-
-
80053942709
-
-
J. K. Vandavasi, W.-P. Hu, C.-Y. Chen and J.-J. Wang, Tetrahedron, 2011, 67, 8895-8901.
-
(2011)
Tetrahedron
, vol.67
, pp. 8895-8901
-
-
Vandavasi, J.K.1
Hu, W.-P.2
Chen, C.-Y.3
Wang, J.-J.4
-
36
-
-
70449338688
-
-
M. Song and C. Fan, Acta Crystallogr., Sect. E: Struct. Rep. Online, 2009, 65, o2835.
-
(2009)
Acta Crystallogr., Sect. E: Struct. Rep. Online
, vol.65
, pp. o2835
-
-
Song, M.1
Fan, C.2
-
37
-
-
0000644869
-
-
C. Glidewell, J. N. Low and J. L. Wardell, Acta Crystallogr., Sect. B: Struct. Sci., 2000, 56, 893-905.
-
(2000)
Acta Crystallogr., Sect. B: Struct. Sci.
, vol.56
, pp. 893-905
-
-
Glidewell, C.1
Low, J.N.2
Wardell, J.L.3
-
38
-
-
78650347797
-
-
C. F. Macrae, I. J. Bruno, J. A. Chisholm, P. R. Edgington, P. McCabe, E. Pidcock, L. Rodriguez-Monge, R. Taylor, J. Van de Streek and P. A. Wood, J. Appl. Crystallogr., 2008, 41.
-
(2008)
J. Appl. Crystallogr.
, pp. 41
-
-
Macrae, C.F.1
Bruno, I.J.2
Chisholm, J.A.3
Edgington, P.R.4
McCabe, P.5
Pidcock, E.6
Rodriguez-Monge, L.7
Taylor, R.8
Van De Streek, J.9
Wood, P.A.10
-
39
-
-
83055198320
-
-
D. E. Braun, M. Ardid-Candel, E. D'Oria, P. G. Karamertzanis, J.-B. Arlin, A. J. Florence, A. G. Jones and S. L. Price, Cryst. Growth Des., 2011, 11, 5659-5669.
-
(2011)
Cryst. Growth Des.
, vol.11
, pp. 5659-5669
-
-
Braun, D.E.1
Ardid-Candel, M.2
D'Oria, E.3
Karamertzanis, P.G.4
Arlin, J.-B.5
Florence, A.J.6
Jones, A.G.7
Price, S.L.8
-
40
-
-
84888338272
-
-
M. Baias, J.-N. Dumez, P. H. Svensson, S. Schantz, G. M. Day and L. Emsley, J. Am. Chem. Soc., 2013, 135, 17501-17507.
-
(2013)
J. Am. Chem. Soc.
, vol.135
, pp. 17501-17507
-
-
Baias, M.1
Dumez, J.-N.2
Svensson, P.H.3
Schantz, S.4
Day, G.M.5
Emsley, L.6
-
41
-
-
34047203749
-
-
G. M. Day, W. D. S. Motherwell and W. Jones, Phys. Chem. Chem. Phys., 2007, 9, 1693-1704.
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 1693-1704
-
-
Day, G.M.1
Motherwell, W.D.S.2
Jones, W.3
|