References
- Leach , AR and Kollman , PA . 1992 . J. Am. Chem. Soc. , 114 : 3675
- Wang , J , Cieplak , P and Kollman , PA . 2000 . J. Comp. Chem. , 21 : 1049
- MacKerell , ADJ , Bashford , D Bellott , M . 1998 . J. Phys. Chem. B. , 102 : 3586
- Jorgensen , WL and Tirado-Rives , J . 1988 . J. Am. Chem. Soc. , 110 : 1657
- Kaminsky , GA , Duffy , EM , Matsui , T and Jorgensen , WL . 1994 . J. Phys. Chem. , 98 : 13077
- Jorgensen , WL , Maxwell , DS and Tirado-Rives , J . 1996 . J. Am. Chem. Soc. , 118 : 11225
- Kaminsky , GA , Friesner , RA , Tirado-Rives , J and Jorgensen , WL . 2001 . J. Phys. Chem. B , 105 : 6474
- Halgren , TA . 1999 . J. Comp. Chem. , 20 : 730
- Ponder , JW and Case , DA . 2003 . Adv. Protein Chem. , 66 : 27
- Buckingham , AD , Fowler , PW and Huston , JM . 1988 . Chem. Rev. , 88 : 963
- Stouch , TR and Williams , DE . 1992 . J. Comput. Chem. , 13 : 622
- Williams , DE . 1990 . Biopolymers , 29 : 1367
- Price , SL and Stone , AJ . 1992 . J. Chem. Soc.-Faraday Trans. , 88 : 1755
- Chirlian , LE and Francl , MM . 1987 . J. Comput. Chem. , 8 : 894
- Swart , M , Van Duijnen , PT and Snijders , JG . 2001 . J. Comput. Chem. , 22 : 79
- Tsiper , EV and Burke , K . 2004 . J. Chem. Phys. , 120 : 1153
- Swart , M , Van Duijnen , PT and Snijders , JG . 2001 . J. Comput. Chem. , 22 : 79
- Richards , NGJ and Vinter , JG . 1991 . J. Comput. Aided Mol. Design , 5 : 1
- Koch , U and Egert , E . 1995 . J. Comput. Chem. , 16 : 937
- Williams , DE and Weller , RR . 1983 . J. Am. Chem. Soc. , 105 : 4143
- Williams , DE . 1988 . J. Comput. Chem. , 9 : 745
- Stone , AJ and Alderton , M . 1985 . Mol. Phys. , 56 : 1047
- Pullman , A and Perahia , D . 1978 . Theor. Chim. Acta. , 48 : 29
- Sokalski , WA and Sawaryn , A . 1987 . J. Chem. Phys. , 87 : 526
- Vigne-Maeder , F and Claverie , P . 1988 . J. Chem. Phys. , 88 : 4934
- Rico , JF , Alvarez-Collado , JR and Paniagua , M . 1985 . Mol. Phys. , 56 : 1145
- Sagui , C , Pedersen , LG and Darden , TA . 2004 . J. Chem. Phys. , 120 : 73
- Liem , SY , Popelier , PLA and Leslie , M . 2004 . Int. J. Quant. Chem. , 99 : 685
- Ren , P and Ponder , JW . 2003 . J. Phys. Chem. B , 107 : 5933
- Ferenczy , GG , Winn , PJ and Reynolds , CA . 1997 . J. Phys. Chem. A , 101 : 5446
- Winn , PJ , Ferenczy , GG and Reynolds , CA . 1997 . J. Phys. Chem. A , 101 : 5437
- Stone , AJ and Price , SL . 1988 . J. Phys. Chem. , 92 : 3325
- Mooij , WTM and Leusen , FJJ . 2001 . Phys. Chem. Chem. Phys. , 3 : 5063
- Day , GM , Chisholm , J Sham , N . 2004 . Cryst. Growth Des. , 4 : 1327
- Day , GM , Motherwell , WDS and Jones , W . 2005 . Cryst. Growth Des. , 5 : 1023
- Price , SL . 2004 . Cryst. Eng. Comm. , 6 : 344
- Eijck , BPv . 2005 . Acta. Crystallogr. , B61 : 528
- Brodersen , SW , Leusen , FJJ and Engel , G . 2003 . Phys. Chem. Chem. Phys. , 5 : 4923
- Muzet , N , Guillot , B , Jelsch , C , Howard , E and Lecomte , C . 2003 . Proc. Natl Acad. Sci. , 100 : 8742
- Price , SL , Hamad , S Torrizi , A . 2006 . Mol. Sim. , 32 : 985
- Stone , AJ . 1981 . Chem. Phys. Lett. , 83 : 233
- Stone , AJ . 1996 . The Theory of Intermolecular Forces , Oxford : Clarendon Press .
- Bader , RFW . 1990 . Atoms in Molecules. A Quantum Theory , Oxford : Oxford University Press .
- Popelier , PLA and Smith. , PJ . Chemical Modelling: Applications and Theory Edited by: Hinchliffe , A . Vol. 2 , 391 – 448 . (Royal Society of Chemistry Specialist Periodical Report, 2002), Ch. 8
- Popelier , PLA , Aicken , FM and O'Brien. , SE . Chemical Modelling: Applications and Theory Edited by: Hinchliffe , A . Vol. 2 , 143 – 198 . (Royal Society of Chemistry Specialist Periodical Report, 2002), Ch. 8
- Popelier , PLA . 2000 . Atoms in Molecules. An Introduction , London : Pearson .
- Popelier , PLA and Aicken , FM . 2003 . Chem. Phys. Chem. , 4 : 824
- Kosov , DS and Popelier , PLA . 2000 . J. Phys. Chem. A , 104 : 7339
- Kosov , DS and Popelier , PLA . 2000 . J.C hem. Phys. , 113 : 3969
- Popelier , PLA , Joubert , L and Kosov , DS . 2001 . J. Phys. Chem. A , 105 : 8254
- Popelier , PLA and Kosov , DS . 2001 . J. Chem. Phys. , 114 : 6539
- Popelier , PLA and Rafat , M . 2003 . Chem. Phys. Lett. , 376 : 148
- Rafat , M and Popelier , PLA . 2005 . J. Chem. Phys. , 123 : 204103
- Rafat , M and Popelier , PLA . 2006 . J. Chem. Phys. , 124 : 144102
- Rafat , M and Popelier , PLA . 2007 . Quantum Theory of Atoms in Molecules , Edited by: Matta , CF and Boyd , RJ . Weinheim , , Germany : Wiley-VCH .
- Rafat , M and Popelier , PLA . 2007 . J. Comput. Chem. , 28 : 832
- Joubert , L and Popelier , PLA . 2002 . Phys. Chem. Chem. Phys. , 4 : 4353
- Liem , S and Popelier , PLA . 2003 . J. Chem. Phys. , 119 : 4560
- Liem , S , Popelier , PLA and Leslie , M . 2004 . Int. J. Quant. Chem. , 99 : 685
- Liem , SY and Popelier , PLA . 2008 . J. Chem. Theory Comput. , 3 : 353
- Houlding , S , Liem , SY and Popelier , PLA . 2007 . Int. J. Quant. Chem. , 107 : 2817
- Devereux , M and Popelier , PLA . 2007 . J. Phys. Chem. A , 111 : 1536
- Wales , DJ , Doye , JPK Dullweber , A . The Cambridge Cluster Database ,
- Wales , DJ and Hodges , MP . 1998 . Chem. Phys. Lett. , 286 : 65
- Goldman , N and Saykally , R . 2004 . J. Chem. Phys. , 120 : 4777
- Frisch , MJ , Trucks , GW Schlegel , HB . 2003 . GAUSSIAN03 , Pittsburgh , PA : Gaussian, Inc. .
- Farkas , Ö and Schegel , HB . 2002 . Phys. Chem. Chem. Phys. , 4 : 11
- Volkov , A , King , A and Coppens , P . 2006 . J. Chem. Theory Comput. , 2 : 81
- Gregory , JK , Clary , DC Liu , K . 1997 . Science , 275 : 814
- Clough , SA , Beers , Y , Klein , GP and Rothman , LS . 1973 . J. Chem. Phys. , 59 : 2254
- Verhoeven , J and Dymanus , A . 1970 . J. Chem. Phys. , 52 : 3222
- Janzen , C , Spangenberg , D , Roth , W and Kleinermanns , K . 1999 . J. Chem. Phys. , 110 : 9898
- Watanabe , T , Ebata , T , Tanabe , S and Mikami , N . 1996 . J. Chem. Phys. , 105 : 408
- Watanabe , H and Iwata , S . 1996 . J. Chem. Phys. , 105 : 420
- 2000 . MORPHY01, a program written by P.L.A. Popelier with a contribution from R.G.A. Bone, D.S.Kosov and M.in het Panhuis, UMIST, Manchester, England
- Popelier , PLA . 1996 . Mol. Phys. , 87 : 1169
- Popelier , PLA . 1998 . Comput. Phys. Commun. , 108 : 180
- Aicken , FM and Popelier , PLA . 2000 . Can. J. Chem. , 78 : 415
- Stone , AJ , Dullweber , A Engkvist , O . 2000 . University of Cambridge .
- Popelier , PLA and Stone , AJ . 1994 . Mol. Phys. , 82 : 411
- Pauling , L . 1960 . The Nature of the Chemical Bond , 3rd , Ithaca, New York : Cornell University Press .
- 2005 . Molecular Operating Environment (MOE) , Montreal , , Canada : Chemical Computing Group Inc . http://www.chemcomp.com
- Foloppe , N and Mackerell , JAD . 2000 . J. Comput. Chem. , 21 : 86
- Clark , M , Cramer , RD III and Opdenbosch , NV . 1989 . J. Comput. Chem. , 10 : 982
- Jorgensen , WL , Chandrasekhar , J Madura , JD . 1982 . J. Chem. Phys. , 79 : 926
- Buckingham , AD and Fowler , PW . 1985 . Can. J. Chem. , 63 : 2018
- Cisneros , GA , Piquemal , J-P and Darden , TA . 2005 . J. Chem. Phys. , 123 : 044109
- Piquemal , J-P , Cisneros , GA Reinhardt , P . 2006 . J. Chem. Phys. , 124 : 104101
- Cisneros , GA , Piquemal , J-P and Darden , TA . 2006 . J. Chem. Phys. , 125 : 184101