-
3
-
-
33748763167
-
-
Chemburkar SR, Bauer J, Deming K, Spiwek H, Patel K, Morris J, Henry R, Spanton S, Dziki W, Porter W, Quick J, Bauer P, Donaubauer J, Narayanan BA, Soldani M, Riley D, McFarland K (2000) Organic Process Res Dev 4413-417
-
(2000)
Organic Process Res Dev
, pp. 4413-4417
-
-
Chemburkar, S.R.1
Bauer, J.2
Deming, K.3
Spiwek, H.4
Patel, K.5
Morris, J.6
Henry, R.7
Spanton, S.8
Dziki, W.9
Porter, W.10
Quick, J.11
Bauer, P.12
Donaubauer, J.13
Narayanan, B.A.14
Soldani, M.15
Riley, D.16
McFarland, K.17
-
4
-
-
4544359331
-
-
Thallapally PK, Jetti RKR, Katz AK, Carrell HL, Singh K, Lahiri K, Kotha S, Boese R, Desiraju GR (2004) Angew Chem Int Edit 43:1149-1155
-
(2004)
Angew Chem Int Edit
, vol.43
, pp. 1149-1155
-
-
Thallapally, P.K.1
Jetti, R.K.R.2
Katz, A.K.3
Carrell, H.L.4
Singh, K.5
Lahiri, K.6
Kotha, S.7
Boese, R.8
Desiraju, G.R.9
-
29
-
-
0000653619
-
-
Price SL, Stone AJ, Lucas J, Rowland RS, Thornley AE (1994) J Am Chem Soc 116:4910-4918
-
(1994)
J Am Chem Soc
, vol.116
, pp. 4910-4918
-
-
Price, S.L.1
Stone, A.J.2
Lucas, J.3
Rowland, R.S.4
Thornley, A.E.5
-
31
-
-
0031261930
-
-
Bruno IJ, Cole JC, Lommerse JPM, Rowland RS, Taylor R, Verdonk ML (1997) J Comput Aid Mol Des 11:525-537
-
(1997)
J Comput Aid Mol des
, vol.11
, pp. 525-537
-
-
Bruno, I.J.1
Cole, J.C.2
Lommerse, J.P.M.3
Rowland, R.S.4
Taylor, R.5
Verdonk, M.L.6
-
32
-
-
0032790258
-
-
Allen FH, Motherwell WDS, Raithby PR, Shields GP, Taylor R (1999) New J Chem 23:25-34
-
(1999)
New J Chem
, vol.23
, pp. 25-34
-
-
Allen, F.H.1
Motherwell, W.D.S.2
Raithby, P.R.3
Shields, G.P.4
Taylor, R.5
-
48
-
-
0029011701
-
-
Cornell WD, Cieplak P, Bayly CI, Gould IR, Merz KM, Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA (1995) J Am Chem Soc 117:5179-5197
-
(1995)
J Am Chem Soc
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
49
-
-
84986527718
-
-
Maple JR, Hwang MJ, Stockfisch TP, Dinur U, Waldman M, Ewig CS, Hagler AT (1994) J Comput Chem 15:162-182
-
(1994)
J Comput Chem
, vol.15
, pp. 162-182
-
-
Maple, J.R.1
Hwang, M.J.2
Stockfisch, T.P.3
Dinur, U.4
Waldman, M.5
Ewig, C.S.6
Hagler, A.T.7
-
50
-
-
0001189010
-
-
Sun H (1998) J Phys Chem B 102:7338-7364
-
(1998)
J Phys Chem B
, vol.102
, pp. 7338-7364
-
-
Sun, H.1
-
61
-
-
8844258029
-
-
Day GM, Chisholm J, Shan N, Motherwell WDS, Jones W (2004) Cryst Growth Des 4:1327-1340
-
(2004)
Cryst Growth des
, vol.4
, pp. 1327-1340
-
-
Day, G.M.1
Chisholm, J.2
Shan, N.3
Motherwell, W.D.S.4
Jones, W.5
-
66
-
-
3042771961
-
-
Tremayne M, Grice L, Pyatt JC, Seaton CC, Kariuki BM, Tsui HHY, Price SL, Cherryman JC (2004) J Am Chem Soc 126:7071-7081
-
(2004)
J Am Chem Soc
, vol.126
, pp. 7071-7081
-
-
Tremayne, M.1
Grice, L.2
Pyatt, J.C.3
Seaton, C.C.4
Kariuki, B.M.5
Tsui, H.H.Y.6
Price, S.L.7
Cherryman, J.C.8
-
69
-
-
0000780079
-
-
Chaka AM, Zaniewski R, Youngs W, Tessier C, Klopman G (1996) Acta Crystallogr B 52:165-183
-
(1996)
Acta Crystallogr B
, vol.52
, pp. 165-183
-
-
Chaka, A.M.1
Zaniewski, R.2
Youngs, W.3
Tessier, C.4
Klopman, G.5
-
82
-
-
0000036732
-
-
Mooij WTM, van Eijck BP, Price SL, Verwer P, Kroon J (1998) J Comput Chem 19:459-474
-
(1998)
J Comput Chem
, vol.19
, pp. 459-474
-
-
Mooij, W.T.M.1
Van Eijck, B.P.2
Price, S.L.3
Verwer, P.4
Kroon, J.5
-
100
-
-
0035940462
-
-
Pillardy J, Arnautova YA, Czaplewski C, Gibson KD, Scheraga HA (2001) P Natl Acad Sci USA 98:12351-12356
-
(2001)
P Natl Acad Sci USA
, vol.98
, pp. 12351-12356
-
-
Pillardy, J.1
Arnautova, Y.A.2
Czaplewski, C.3
Gibson, K.D.4
Scheraga, H.A.5
-
113
-
-
0042888420
-
-
Levy M (ed). Academic, New York
-
Day GM, Price SL (2001) In: Handbook of Elastic Properties of Solids, Liquids and Gases. Volume III: Elastic Properties of Solids: Biological and Organic Materials, Earth and Marine Sciences, Levy M (ed). Academic, New York p 3-49
-
(2001)
Handbook of Elastic Properties of Solids, Liquids and Gases. Volume III: Elastic Properties of Solids: Biological and Organic Materials, Earth and Marine Sciences
, vol.3
, pp. 3-49
-
-
Day, G.M.1
Price, S.L.2
-
116
-
-
2342488092
-
-
Strachan CJ, Rades T, Newnham DA, Gordon KG, Pepper M, Taday PF (2004) Chem Phys Lett 390:20-24
-
(2004)
Chem Phys Lett
, vol.390
, pp. 20-24
-
-
Strachan, C.J.1
Rades, T.2
Newnham, D.A.3
Gordon, K.G.4
Pepper, M.5
Taday, P.F.6
-
122
-
-
0034874245
-
-
Bauer J, Spanton S, Henry R, Quick J, Dziki W, Porter W, Morris J (2001) Pharmaceut Res 18:859-866
-
(2001)
Pharmaceut Res
, vol.18
, pp. 859-866
-
-
Bauer, J.1
Spanton, S.2
Henry, R.3
Quick, J.4
Dziki, W.5
Porter, W.6
Morris, J.7
-
125
-
-
0003252331
-
-
Payne RS, Rowe RC, Roberts RJ, Charlton MH, Docherty R (1999) J Comput Chem 20:262-273
-
(1999)
J Comput Chem
, vol.20
, pp. 262-273
-
-
Payne, R.S.1
Rowe, R.C.2
Roberts, R.J.3
Charlton, M.H.4
Docherty, R.5
-
140
-
-
0041686184
-
-
that calculates an analytical form for the overlap of distributed charge densities. University of Nottingham
-
Wheatley RJ (1997) GMUL 3s: an extension to the GMUL program (version 3) that calculates an analytical form for the overlap of distributed charge densities. University of Nottingham
-
(1997)
GMUL 3s: An Extension to the GMUL Program (Version 3)
-
-
Wheatley, R.J.1
-
144
-
-
0035526014
-
-
Mitchell JBO, Price SL, Leslie M, Buttar D, Roberts RJ (2001) J Phys Chem A 105:9961-9971
-
(2001)
J Phys Chem A
, vol.105
, pp. 9961-9971
-
-
Mitchell, J.B.O.1
Price, S.L.2
Leslie, M.3
Buttar, D.4
Roberts, R.J.5
-
145
-
-
0027158730
-
-
Maginn SJ, Compton RG, Harding MS, Brennan CM, Docherty R (1993) Tetrahedron Lett 34:4349
-
(1993)
Tetrahedron Lett
, vol.34
, pp. 4349
-
-
Maginn, S.J.1
Compton, R.G.2
Harding, M.S.3
Brennan, C.M.4
Docherty, R.5
-
149
-
-
33748783765
-
-
Intermolecular Forces and Clusters. Wales DJ (ed) (in press)
-
Xantheas SS (2005) In: Intermolecular Forces and Clusters. Wales DJ (ed) Struc Bond 115 (in press)
-
(2005)
Struc Bond
, vol.115
-
-
Xantheas, S.S.1
-
150
-
-
33748781583
-
-
Intermolecular Forces and Clusters. Wales DJ (ed) (in press)
-
Szalewicz K (2005) In: Intermolecular Forces and Clusters. Wales DJ (ed) Struc Bond 115 (in press)
-
(2005)
Struc Bond
, vol.115
-
-
Szalewicz, K.1
-
152
-
-
8844258029
-
-
Day GM, Chisholm J, Shan N, Motherwell WDS, Jones W (2004) Cryst Growth Des 4:1327-1340
-
(2004)
Cryst Growth des
, vol.4
, pp. 1327-1340
-
-
Day, G.M.1
Chisholm, J.2
Shan, N.3
Motherwell, W.D.S.4
Jones, W.5
-
155
-
-
0000201963
-
-
Lommerse JPM, Motherwell WDS, Ammon HL, Dunitz JD, Gavezzotti A, Hofmann DWM, Leusen FJJ, Mooij WTM, Price SL, Schweizer B, Schmidt MU, van Eijck BP, Verwer P, Williams DE (2000) Acta Crystallogr B 56:697-714
-
(2000)
Acta Crystallogr B
, vol.56
, pp. 697-714
-
-
Lommerse, J.P.M.1
Motherwell, W.D.S.2
Ammon, H.L.3
Dunitz, J.D.4
Gavezzotti, A.5
Hofmann, D.W.M.6
Leusen, F.J.J.7
Mooij, W.T.M.8
Price, S.L.9
Schweizer, B.10
Schmidt, M.U.11
Van Eijck, B.P.12
Verwer, P.13
Williams, D.E.14
-
156
-
-
19044370839
-
-
Motherwell WDS, Ammon HL, Dunitz JD, Dzyabchenko A, Erk P, Gavezzotti A, Hofmann DWM, Leusen FJJ, Lommerse JPM, Mooij WTM, Price SL, Scheraga H, Schweizer B, Schmidt MU, van Eijck BP, Verwer P, Williams DE (2002) Acta Crystallogr B 58:647-661
-
(2002)
Acta Crystallogr B
, vol.58
, pp. 647-661
-
-
Motherwell, W.D.S.1
Ammon, H.L.2
Dunitz, J.D.3
Dzyabchenko, A.4
Erk, P.5
Gavezzotti, A.6
Hofmann, D.W.M.7
Leusen, F.J.J.8
Lommerse, J.P.M.9
Mooij, W.T.M.10
Price, S.L.11
Scheraga, H.12
Schweizer, B.13
Schmidt, M.U.14
Van Eijck, B.P.15
Verwer, P.16
Williams, D.E.17
-
157
-
-
19944407541
-
-
in press
-
Day GM, Motherwell WDS, Ammon HL, Boerrigter SXM, Della Valle RG, Venuti E, Dzyabchenko A, Dunitz JD, Schweizer B, van Eijck BP, Erk P, Facelli JC, Bazterra VE, Ferraro MB, Hofmann DWM, Leusen FJJ, Liang C, Pantelides CG, Karamertzanis PG, Price SL, Lewis TC, Nowell H, Torrisi A, Scheraga H, Arnautova YA, Schmidt MU, Verwer P (2005) Acta Crystallogr B (in press)
-
(2005)
Acta Crystallogr B
-
-
Day, G.M.1
Motherwell, W.D.S.2
Ammon, H.L.3
Boerrigter, S.X.M.4
Della Valle, R.G.5
Venuti, E.6
Dzyabchenko, A.7
Dunitz, J.D.8
Schweizer, B.9
Van Eijck, B.P.10
Erk, P.11
Facelli, J.C.12
Bazterra, V.E.13
Ferraro, M.B.14
Hofmann, D.W.M.15
Leusen, F.J.J.16
Liang, C.17
Pantelides, C.G.18
Karamertzanis, P.G.19
Price, S.L.20
Lewis, T.C.21
Nowell, H.22
Torrisi, A.23
Scheraga, H.24
Arnautova, Y.A.25
Schmidt, M.U.26
Verwer, P.27
more..
-
158
-
-
0037878049
-
-
Jetti RKR, Boese R, Sarma J, Reddy LS, Vishweshwar P, Desiraju GR (2003) Angew Chem Int Edit 42:1963-1967
-
(2003)
Angew Chem Int Edit
, vol.42
, pp. 1963-1967
-
-
Jetti, R.K.R.1
Boese, R.2
Sarma, J.3
Reddy, L.S.4
Vishweshwar, P.5
Desiraju, G.R.6
-
165
-
-
0037262232
-
-
Cross WI, Blagden N, Davey RJ, Pritchard RG, Neumann MA, Roberts RJ, Rowe RC (2003) Cryst Growth Des 3:151-158
-
(2003)
Cryst Growth des
, vol.3
, pp. 151-158
-
-
Cross, W.I.1
Blagden, N.2
Davey, R.J.3
Pritchard, R.G.4
Neumann, M.A.5
Roberts, R.J.6
Rowe, R.C.7
-
166
-
-
0034833735
-
-
Blagden N, Cross WI, Davey RJ, Broderick M, Pritchard RG, Roberts RJ, Rowe RC (2001) Phys Chem Chem Phys 3:3819-3825
-
(2001)
Phys Chem Chem Phys
, vol.3
, pp. 3819-3825
-
-
Blagden, N.1
Cross, W.I.2
Davey, R.J.3
Broderick, M.4
Pritchard, R.G.5
Roberts, R.J.6
Rowe, R.C.7
-
178
-
-
33751573904
-
-
Davey RJ, Allen K, Blagden N, Cross WI, Lieberman HF, Quayle MJ, Righini S, Seton L, Tiddy GJT (2002) Cryst Eng Comm 4:257-264
-
(2002)
Cryst Eng Comm
, vol.4
, pp. 257-264
-
-
Davey, R.J.1
Allen, K.2
Blagden, N.3
Cross, W.I.4
Lieberman, H.F.5
Quayle, M.J.6
Righini, S.7
Seton, L.8
Tiddy, G.J.T.9
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