References
- Carter , EA . 2008 . Science , 321 ( 5890 ) : 800
- Stone , A . 2008 . Science , 321 ( 5890 ) : 787
- Rollet , AL , Bessada , C , Auger , Y , Melin , P , Gailhanou , M and Thaudière , D . 2004 . Nucl. Instrum. Methods Phys. Res., Sect. B , 226 : 447
- Rollet , AL , Sarou-Kanian , V and Bessada , C . 2009 . Inorg. Chem. , 48 ( 23 ) : 10972
- Papatheodorou , GN . 1977 . J. Chem. Phys. , 66 ( 7 ) : 2893
- Photiadis , G and Papatheodorou , G . 1998 . J. Chem. Soc., Dalton Trans. , : 981
- Dracopoulos , V , Vagelatos , J and Papatheodorou , G . 2001 . J. Chem. Soc., Dalton Trans. , 7 : 1117
- Ohno , H , Furukawa , K , Tanemoto , K , Takagi , Y and Nakamura , T . 1978 . J. Chem. Soc., Faraday Trans. 1 , 74 : 804
- Ohno , H , Yoroki , M , Furukawa , K , Takagi , Y and Nakamura , T . 1978 . J. Chem. Soc., Faraday Trans. 1 , 74 : 1861
- Wasse , JC and Salmon , PS . 1999 . J. Phys.: Condens. Matter , 11 ( 6 ) : 1381
- Glover , W and Madden , P . 2004 . J. Chem. Phys. , 121 ( 15 ) : 7293
- Rollet , AL and Salanne , M . 2011 . Annu. Rep. Prog. Chem., Sect. C , 107 : 88
- Rovere , M and Tosi , MP . 1986 . Rep. Prog. Phys. , 49 ( 9 ) : 1001
- Tosi , MP and Fumi , FG . 1964 . J. Phys. Chem. Solids , 25 : 45
- Fumi , FG and Tosi , MP . 1964 . J. Phys. Chem. Solids , 25 : 31
- Alder , BJ and Wainwright , TE . 1959 . J. Chem. Phys. , 31 ( 2 ) : 459
- Woodcock , LV and Singer , K . 1971 . Trans. Faraday Soc. , 67 : 12
- Lantelme , F , Turq , P , Quentrec , B and Lewis , JWE . 1974 . Mol. Phys. , 28 ( 6 ) : 1537
- Hansen , JP and McDonald , I . 1975 . Phys. Rev. A , 11 ( 6 ) : 2111
- Lantelme , F and Turq , P . 1982 . J. Chem. Phys. , 77 ( 6 ) : 3177
- Lantelme , F and Turq , P . 1984 . J. Chem. Phys. , 81 ( 11 ) : 5046
- Biggin , S and Enderby , JE . 1981 . J. Phys. C: Solid State Phys. , 14 : 3577
- Triolo , R and Narten , AH . 1981 . J. Chem. Phys. , 74 ( 1 ) : 703
- Allen , DA , Howe , RA , Wood , ND and Howells , WS . 1991 . J. Chem. Phys. , 94 ( 7 ) : 5071
- Zeidler , A , Salmon , PS , Martin , RA , Usuki , T , Mason , PE , Cuello , GJ , Kohara , S and Fischer , HE . 2010 . Phys. Rev. B , 82 ( 10 ) : 104208
- Woodcock , LV , Angell , CA and Cheeseman , P . 1976 . J. Chem. Phys. , 65 ( 4 ) : 1565
- Gardner , PJ and Heyes , DM . 1985 . Physica B+C , 131 ( 1–3 ) : 227
- Kumta , PN , Deymier , PA and Risbud , SH . 1988 . Physica B , 153 ( 1–3 ) : 85
- Wilson , M and Madden , PA . 1993 . J. Phys.: Condens. Matter , 5 : 6833
- Wilson , M and Madden , PA . 1993 . J. Phys.: Condens. Matter , 5 ( 17 ) : 2687
- Wilson , M and Madden , PA . 1994 . Phys. Rev. Lett. , 72 ( 19 ) : 3033
- Dick , JBG and Overhauser , AW . 1958 . Phys. Rev. , 112 ( 1 ) : 90
- Sangster , MJL and Dixon , M . 1976 . Adv. Phys. , 25 ( 3 ) : 247
- Fowler , P and Madden , P . 1985 . Phys. Rev. B , 31 ( 8 ) : 5443
- Merlet , C , Madden , PA and Salanne , M . 2010 . Phys. Chem. Chem. Phys. , 12 : 14109
- Pauvert , O , Zanghi , D , Salanne , M , Simon , C , Rakhmatullin , A , Matsuura , H , Okamoto , Y , Vivet , F and Bessada , C . 2010 . J. Phys. Chem. B , 114 ( 19 ) : 6472
- Tangney , P and Scandolo , S . 2002 . J. Chem. Phys. , 117 ( 19 ) : 8898
- Giacomazzi , L , Carrez , P , Scandolo , S and Cordier , P . 2011 . Phys. Rev. B , 83 : 014110
- Bitrian , V , Alcaraz , O and Trullas , J . 2011 . J. Chem. Phys. , 134 ( 4 ) : 044501
- Alcaraz , O , Bitrian , V and Trullas , J . 2011 . J. Chem. Phys. , 134 ( 1 ) : 014505
- Wilson , M and Madden , PA . 1997 . Faraday Discuss. , 106 : 339
- Salanne , M , Rotenberg , B , Simon , C , Jahn , S , Vuilleumier , R and Madden , PA . 2011 . Theor. Chem. Acc., in press ,
- Heaton , RJ , Madden , PA , Clark , SJ and Jahn , S . 2006 . J. Chem. Phys. , 125 : 144104
- Rotenberg , B , Salanne , M , Simon , C and Vuilleumier , R . 2010 . Phys. Rev. Lett. , 104 ( 13 ) : 138301
- Madden , PA and Wilson , M . 1996 . Chem. Soc. Rev. , 25 ( 5 ) : 339
- Pounds , M . Ph.D. thesis, University of Edinburgh, 2009
- Tang , K and Toennies , J . 1984 . J. Chem. Phys. , 80 ( 8 ) : 3726
- Stone , A . 1996 . Theory of Intermolecular Forces , Oxford : Oxford University Press .
- Buckingham , A . 1967 . Adv. Chem. Phys. , 12 : 107
- J¨emmer , P , Wilson , M , Madden , PA and Fowler , PW . 1999 . J. Chem. Phys. , 111 ( 5 ) : 2038
- Domene , C , Fowler , PW , Madden , PA , Xu , J , Wheatley , RJ and Wilson , M . 2001 . J. Phys. Chem. A , 105 : 4136
- Domene , C , Fowler , PW , Wilson , M and Madden , PA . 2002 . Mol. Phys. , 100 ( 24 ) : 3847
- Car , R and Parrinello , M . 1985 . Phys. Rev. Lett. , 55 ( 22 ) : 2471
- Remler , D and Madden , P . 1990 . Mol. Phys. , 70 ( 6 ) : 921
- Sprik , M and Klein , ML . 1988 . J. Chem. Phys. , 89 : 7556
- Kolafa , J . 2004 . J. Comput. Chem. , 25 : 335
- Sala , J , Guardia , E and Masia , M . 2010 . J. Chem. Phys. , 133 ( 23 ) : 234101
- Ewald , P . 1921 . Ann. Phys. , 64 : 253
- Allen , MP and Tildeslay , DJ . 1989 . Computer Simulation of Liquids , Oxford : Clarendon Press .
- Nymand , T and Linse , P . 2000 . J. Chem. Phys. , 112 ( 14 ) : 6152
- Aguado , A and Madden , PA . 2003 . J. Chem. Phys. , 119 ( 14 ) : 7471
- Laino , T and Hutter , J . 2008 . J. Chem. Phys. , 129 ( 7 ) : 074102
- Stenhammar , J , Trulsson , M and Linse , P . 2011 . J. Chem. Phys. , 134 ( 22 ) : 224104
- Parrinello , M and Rahman , A . 1980 . Phys. Rev. Lett. , 45 ( 14 ) : 1196
- Martyna , GJ , Tobias , DJ and Klein , ML . 1994 . J. Chem. Phys. , 101 ( 5 ) : 4177
- Wilson , M and Madden , PA . 2002 . J. Phys.: Condens. Matter , 14 ( 18 ) : 4629
- Morgan , B and Madden , P . 2004 . J. Chem. Phys. , 120 ( 3 ) : 1402
- Aguado , A and Madden , PA . 2004 . Phys. Rev. B , 70 : 245103
- Aguado , A and Madden , PA . 2005 . Phys. Rev. Lett. , 94 ( 6 ) : 068501
- Jahn , S and Madden , P . 2007 . Phys. Earth Planet. Inter. , 162 : 129
- Humphrey , W , Dalke , A and Schulten , K . 1996 . J. Mol. Graphics , 14 ( 1 ) : 33
- Agarwal , M and Chakravarty , C . 2007 . J. Phys. Chem. B , 111 ( 46 ) : 13294
- Agarwal , M , Ganguly , A and Chakravarty , C . 2009 . J. Phys. Chem. B , 113 ( 46 ) : 15284
- Jabes , BS , Agarwal , M and Chakravarty , C . 2010 . J. Chem. Phys. , 132 ( 23 ) : 234507
- Delpech , S , Merle-Lucotte , E , Heuer , D , Allibert , M , Ghetta , V , Le-Brun , C , Doligez , X and Picard , G . 2009 . J. Fluorine Chem. , 130 ( 1 ) : 11
- Heaton , RJ , Brookes , R , Madden , PA , Salanne , M , Simon , C and Turq , P . 2006 . J. Phys. Chem. B , 110 ( 23 ) : 11454
- Marzari , N and Vanderbilt , D . 1997 . Phys. Rev. B , 56 ( 20 ) : 12847
- Perdew , JP , Burke , K and Ernzerhof , M . 1996 . Phys. Rev. Lett. , 77 : 3865
- Vydrov , OA and Van Voorhis , T . 2010 . J. Chem. Phys. , 133 ( 24 ) : 244103
- Heaton , RJ and Madden , PA . 2008 . Mol. Phys. , 106 ( 12–13 ) : 1703
- Salanne , M , Simon , C , Turq , P , Heaton , RJ and Madden , PA . 2006 . J. Phys. Chem. B , 110 ( 23 ) : 11461
- Salanne , M , Simon , C , Turq , P and Madden , PA . 2007 . J. Phys. Chem. B , 111 ( 18 ) : 4678
- Salanne , M , Simon , C , Turq , P and Madden , PA . 2009 . J. Fluorine Chem. , 130 ( 1 ) : 38
- Salanne , M , Simon , C , Groult , H , Lantelme , F , Goto , T and Barhoun , A . 2009 . J. Fluorine Chem. , 130 ( 1 ) : 61
- Pauvert , O , Salanne , M , Zanghi , D , Simon , C , Reguer , S , Thiaudière , D , Okamoto , Y , Matsuura , H and Bessada , C . 2011 . J. Phys. Chem. B , 115 : 9160
- Hutchinson , F , Rowley , AJ , Walters , MK , Wilson , M , Madden , PA , Wasse , JC and Salmon , PS . 1999 . J. Chem. Phys. , 111 ( 5 ) : 2028
- Hutchinson , F , Walters , MK , Rowley , AJ and Madden , PA . 1999 . J. Chem. Phys. , 110 ( 12 ) : 5821
- Hutchinson , F , Wilson , M and Madden , PA . 2001 . Mol. Phys. , 99 ( 10 ) : 811
- Madden , PA , Wilson , M and Hutchinson , F . 2004 . J. Chem. Phys. , 120 ( 14 ) : 6609
- Okamoto , Y , Suzuki , S , Shiwaku , H , Ikeda-Ohno , A , Yaita , T and Madden , P . 2010 . J. Phys. Chem. A , 114 ( 13 ) : 4664
- Guillot , B and Sator , N . 2007 . Geochim. Cosmochim. Acta , 71 ( 5 ) : 1249
- Guillot , B and Sator , N . 2007 . Geochim. Cosmochim. Acta , 71 ( 18 ) : 4538
- van Beest , BWH , Kramer , GJ and van , RA . 1990 . Santen, Phys. Rev. Lett. , 64 ( 16 ) : 1955
- Oeffner , R and Elliott , S . 1998 . Phys. Rev. B , 58 ( 22 ) : 14791
- Carré , A , Horbach , J , Ispas , S and Kob , W . 2008 . Europhys. Lett. , 82 : 17001
- Gray-Weale , A and Madden , PA . 2003 . Mol. Phys. , 101 ( 11 ) : 1761
- Biggin , S and Enderby , JE . 1981 . J. Phys. C: Solid State Phys. , 14 ( 22 ) : 3129
- Neuefeind , J . 2001 . Phys. Chem. Chem. Phys. , 3 : 3987
- Sharma , BK and Wilson , M . 2008 . J. Phys.: Condens. Matter , 20 ( 24 ) : 244123
- Marrocchelli , D , Salanne , M , Madden , PA , Simon , C and Turq , P . 2009 . Mol. Phys. , 107 ( 4–6 ) : 443
- Norberg , ST , Hull , S , Ahmed , I , Eriksson , SG , Marrocchelli , D , Madden , PA , Li , P and Irvine , JTS . 2011 . Chem. Mater. , 23 ( 6 ) : 1356
- Marrocchelli , D , Madden , PA , Norberg , ST and Hull , S . 2011 . Chem. Mater. , 23 ( 6 ) : 1365
- Hansen , JP and McDonald , I . 1986 . Theory of Simple Liquids, . , 2nd ed , New York : Academic Press .
- Brookes , R , Davies , A , Ketwaroo , G and Madden , P . 2005 . J. Phys. Chem. B , 109 ( 14 ) : 6485
- Micoulaut , M , Cormier , L and Henderson , G . 2006 . J. Phys.: Condens. Matter , 18 : R753
- Salmon , PS , Barnes , AC , Martin , RA and Cuello , GJ . 2007 . J. Phys.: Condens. Matter , 19 ( 41 ) : 415110
- Hawlitzky , M , Horbach , J , Ispas , S , Krack , M and Binder , K . 2008 . J. Phys.: Condens. Matter , 20 ( 28 ) : 285106
- Micoulaut , M , Guissani , Y and Guillot , B . 2006 . Phys. Rev. E , 73 : 031504
- Wilson , M , Madden , PA , Hemmati , M and Angell , CA . 1996 . Phys. Rev. Lett. , 77 ( 19 ) : 4023
- Caillol , J , Levesque , D and Weis , J . 1989 . J. Chem. Phys. , 91 ( 9 ) : 5544
- Caillol , J , Levesque , D and Weis , J . 1989 . J. Chem. Phys. , 91 ( 9 ) : 5555
- Marrocchelli , D , Salanne , M and Madden , PA . 2010 . J. Phys.: Condens. Matter , 22 ( 15 ) : 152102
- Vaccari , M , Aquilanti , G , Pascarelli , S and Mathon , O . 2009 . J. Phys.: Condens. Matter , 21 ( 12 ) : 145403
- Drewitt , JWE , Salmon , PS , Barnes , AC , Klotz , S , Fischer , HE and Crichton , WA . 2010 . Phys. Rev. B , 81 ( 1 ) : 014202
- Mei , Q , Sinogeikin , S , Shen , G , Amin , S , Benmore , CJ and Ding , K . 2010 . Phys. Rev. B , 81 ( 17 ) : 174113
- Yan , T , Wang , Y and Knox , C . 2010 . J. Phys. Chem. B , 114 : 6905
- Yan , T , Wang , Y and Knox , C . 2010 . J. Phys. Chem. B , 114 : 6886
- Okamoto , Y , Madden , PA and Minato , K . 2005 . J. Nucl. Mater. , 344 ( 1–3 ) : 109
- Sindzingre , P and Gillan , MJ . 1990 . J. Phys.: Condens. Matter , 2 ( 33 ) : 7033
- Salanne , M , Marrocchelli , D , Merlet , C , Ohtori , N and Madden , PA . 2011 . J. Phys.: Condens. Matter , 23 ( 10 ) : 102101
- Bernu , B and Vieillefosse , P . 1978 . Phys. Rev. A , 18 ( 5 ) : 2345
- Ohtori , N , Salanne , M and Madden , PA . 2009 . J. Chem. Phys. , 130 ( 10 ) : 104507
- Nagasaka , Y , Nakazawa , N and Nagashima , A . 1992 . Int. J. Thermophys. , 13 ( 4 ) : 555
- Galamba , N , Nieto de Castro , CA and Ely , JF . 2007 . J. Chem. Phys. , 126 ( 20 ) : 204511
- Yeh , IC and Berkowitz , ML . 1999 . J. Chem. Phys. , 111 ( 7 ) : 3155
- Karasawa , N and Goddard , W III . 1989 . J. Phys. Chem. , 93 : 7320
- Aguado , A , Wilson , M and Madden , PA . 2001 . J. Chem. Phys. , 115 ( 18 ) : 8603
- Salanne , M , Simon , C , Turq , P and Madden , PA . 2007 . C. R. Chim. , 10 : 1131
- Aguado , A , Scott , W and Madden , PA . 2001 . J. Chem. Phys. , 115 ( 18 ) : 8612
- Aguado , A and Madden , PA . 2002 . J. Chem. Phys. , 117 ( 16 ) : 7659
- Jungwirth , P and Tobias , DJ . 2002 . J. Phys. Chem. B , 106 ( 25 ) : 6361
- Jungwirth , P and Tobias , DJ . 2006 . Chem. Rev. , 106 ( 4 ) : 1259
- Chang , TM and Dang , LX . 2006 . Chem. Rev. , 106 ( 4 ) : 1305
- Vergnes , J and Lecarpentier , D . 2002 . Nucl. Eng. Des. , 216 ( 1–3 ) : 43
- Forsberg , CW . 2003 . Nucl. Technol. , 144 ( 3 ) : 289
- Mathieu , L , Heuer , D , Brissot , R , Garzenne , C , Brun , CL , Lecarpentier , D , Liatard , E , Loiseaux , JM , Meplan , O , Merle-Lucotte , E , Nuttin , A , Walle , E and Wilson , J . 2006 . Prog. Nucl. Energy , 48 ( 7 ) : 664
- Cassayre , L , Chamelot , P , Arurault , L , Massot , L , Palau , P and Taxil , P . 2007 . Corros. Sci. , 49 ( 9 ) : 3610
- Cassayre , L , Palau , P , Chamelot , P and Massot , L . 2010 . J. Chem. Eng. Data , 55 ( 11 ) : 4549
- Simon , P and Gogotsi , Y . 2008 . Nat. Mater. , 7 : 845
- Largeot , C , Portet , C , Chmiola , J , Taberna , P , Gogotsi , Y and Simon , P . 2008 . J. Am. Chem. Soc. , 130 ( 9 ) : 2730
- Lin , R , Huang , P , Segalini , J , Largeot , C , Taberna , P , Chmiola , J , Gogotsi , Y and Simon , P . 2009 . Electrochim. Acta , 54 ( 27 ) : 7025
- Armand , M , Endres , F , MacFarlane , D , Ohno , H and Scrosati , B . 2009 . Nat. Mater. , 8 : 621
- Reed , S , Lanning , O and Madden , P . 2007 . J. Chem. Phys. , 126 ( 8 ) : 084704
- Siepmann , J and Sprik , M . 1995 . J. Chem. Phys. , 102 ( 1 ) : 511
- Tazi , S , Salanne , M , Simon , C , Turq , P , Pounds , M and Madden , PA . 2010 . J. Phys. Chem. B , 114 ( 25 ) : 8453
- Vatamanu , J , Borodin , O and Smith , G . 2010 . Phys. Chem. Chem. Phys. , 12 : 170
- Vatamanu , J , Borodin , O and Smith , GD . 2011 . J. Phys. Chem. B , 115 ( 12 ) : 3073
- Kislenko , S , Samoylov , I and Amirov , R . 2009 . Phys. Chem. Chem. Phys. , 11 : 5584
- Salanne , M , Vuilleumier , R , Madden , PA , Simon , C , Turq , P and Guillot , B . 2008 . J. Phys.: Condens. Matter , 20 ( 49 ) : 494207
- Fowler , PW and Madden , PA . 1984 . Phys. Rev. B , 29 ( 2 ) : 1035
- J¨emmer , P , Fowler , PW , Wilson , M and Madden , PA . 1998 . J. Phys. Chem. A , 102 ( 43 ) : 8377
- Buin , A and Iftimie , R . 2009 . J. Chem. Phys. , 131 ( 23 ) : 234507
- Salanne , M , Simon , C and Madden , PA . 2011 . Phys. Chem. Chem. Phys. , 13 : 6305
- Yan , T , Burnham , CJ , Del Pópolo , MG and Voth , GA . 2004 . J. Phys. Chem. B , 108 ( 32 ) : 11877
- Yan , T , Li , S , Jiang , W , Gao , X , Xiang , B and Voth , GA . 2006 . J. Phys. Chem. B , 110 ( 4 ) : 1800
- Borodin , O . 2009 . J. Phys. Chem. B , 113 ( 33 ) : 11463
- Bedrov , D , Borodin , O , Li , Z and Smith , G . 2010 . J. Phys. Chem. B , 114 : 4984
- Salanne , M , Siqueira , LJA , Seitsonen , AP , Madden , PA and Kirchner , B . Faraday Discuss. doi://10.1039/C1FD00053E (2011)
- Thole , B . 1981 . Chem. Phys. , 59 : 341