Ab initio study of dissolution and precipitation reactions from the edge, kink, and terrace sites of quartz as a function of pH

References

• Bennett , PC . 1991 . Geochim. Cosmochim. Acta , 55 : 1781
   Web of Science ®Google Scholar
• Bennett , PC , Melcer , ME , Siegel , DI and Hassett , JP . 1988 . Geochimica et Cosmochimica Acta , 52 : 1521
   Web of Science ®Google Scholar
• Blum , A and Lasaga , A . 1988 . Nature , 331 : 431
   Web of Science ®Google Scholar
• Brady , PV and Walther , JV . 1990 . Chem. Geo. , 82 : 253
   Web of Science ®Google Scholar
• Brady , PV and Walther , JV . 1992 . Am. J. Sci. , 292 : 639
   Google Scholar
• Burch , TE , Nagy , KL and Lasaga , AC . 1993 . Chem. Geo. , 105 : 137
   Web of Science ®Google Scholar
• Carroll-Webb , SA and Walther , JV . 1988 . Geochimica et Cosmochimica Acta , 52 : 2609
   Web of Science ®Google Scholar
• Casey , WH and Sposito , G . 1992 . Geochimica et Cosmochimica Acta , 56 : 3825
   Web of Science ®Google Scholar
• Casey , WH , Westrich , HR , Arnold , GW and Banfield , JF . 1989 . Geochimica et Cosmochimica Acta , 53 : 821
   Web of Science ®Google Scholar
• Casey , WH , Westrich , HR and Holdren , GR . 1991 . Am. Mineralogist , 76 : 211
   Web of Science ®Google Scholar
• Chen , Y and Brantley , SL . 1997 . Chem. Geo. , 135 : 275
   Web of Science ®Google Scholar
• Dove , PM and Crerar , DA . 1990 . Geochimica et Cosmochimica Acta , 54 : 955
   Web of Science ®Google Scholar
• Dove , PM . 1994 . American J. Sci. , 294 : 665
   Web of Science ®Google Scholar
• Nangia , S and Garrison , BJ . 2008 . J. Phy. Chem. A , 112 : 2027
   PubMed Web of Science ®Google Scholar
• Siegel , DI and Pfannkuch , HO . 1984 . Geochimica et Cosmochimica Acta , 48 : 197
   Web of Science ®Google Scholar
• Stillings , LL , Drever , JI , Brantley , SL , Sun , Y and Oxburgh , R . 1996 . Chem. Geo. , 132 : 79
   Web of Science ®Google Scholar
• Cypryk , M , Rubinsztajn , S and Chojnowski , J . 1993 . J. Organometall. Chem. , 446 : 91
   Web of Science ®Google Scholar
• Anbeek , C . 1992 . Geochimica et Cosmochimica Acta , 56 : 1461
   Web of Science ®Google Scholar
• Anbeek , C . 1993 . Geochimica et Cosmochimica Acta , 57 : 4963
   Web of Science ®Google Scholar
• Anbeek , C , Vanbreemen , N , Meijer , EL and Vanderplas , L . 1994 . Geochimica et Cosmochimica Acta , 58 : 4601
   Web of Science ®Google Scholar
• Dove , PM , Han , N and Yoreo , JJD . 2005 . Proc. National Acad. Sci. , 102 : 15357
   PubMed Web of Science ®Google Scholar
• Gratz , AJ and Bird , P . 1993 . Geochimica et Cosmochimica Acta , 57 : 977
   Web of Science ®Google Scholar
• Schulz , MS and White , AF . 1999 . Geochimica et Cosmochimica Acta , 63 : 337
   Web of Science ®Google Scholar
• Petrovich , R . 1981 . Geochimica et Cosmochimica Acta , 45 : 1665
   Web of Science ®Google Scholar
• Johnson , JW , Knauss , KG , Glassley , WE , DeLoach , LD and Tompson , AFB . 1998 . J. Hydrol. , 209 : 81
   Web of Science ®Google Scholar
• Criscenti , LJ , Kubicki , JD and Brantley , SL . 2006 . J. Phy. Chem. A , 110 : 198
   PubMed Web of Science ®Google Scholar
• Xiao , Y and Lasaga , AC . 1996 . Geochimica et Cosmochimica Acta , 60 : 2283
   Google Scholar
• Pelmenschikov , A , Strandh , H , Pettersson , LGM and Leszczynski , J . 2000 . J. Phys. Chem. B , 104 : 5779
   Web of Science ®Google Scholar
• Burkhard , DJM , De Jonc , BHWS , Meyer , AJHM and Van Lenthe , JH . 1991 . Geochimica et Cosmochimica Acta , 55 : 3453
   Web of Science ®Google Scholar
• Lasaga , AC and Gibbs , GV . 1990 . American J. Sci. , 290 : 263
   Google Scholar
• Bandstra , JZ and Brantley , SL . 2008 . Geochimica et Cosmochimica Acta , 72 : 2587
   Web of Science ®Google Scholar
• Burton , WK , Cabrera , N and Frank , FC . 1951 . Philos. Trans. R. Soc. London Series A–Math. Phys. Sci. , 243 : 299
   Web of Science ®Google Scholar
• Nangia , S , Washton , NM , Mueller , KT , Kubicki , JD and Garrison , BJ . 2007 . J. Phys. Chem. C , 111 : 5169
   Web of Science ®Google Scholar
• Yang , J , Meng , S , Xu , LF and Wang , EG . 2004 . Phys. Rev. Lett. , 92 : 146102
   PubMed Web of Science ®Google Scholar
• Yang , J and Wang , EG . 2006 . Phy. Rev. B , 73 : 035406
   Web of Science ®Google Scholar
• VigneMaeder , F and Sautet , P . 1997 . J. Phys. Chem. B , 101 : 8197
   Web of Science ®Google Scholar
• Benjamin , L and Gold , V . 1954 . Trans. Faraday Soc. , 50 : 797
   Google Scholar
• Berger , G , Cadore , E , Schott , J and Dove , PM . 1994 . Geochimica et Cosmochimica Acta , 58 : 541
   Web of Science ®Google Scholar
• Binkley , JS , Pople , JA and Hehre , WJ . 1980 . J. American Chem. Soci. , 102 : 939
   Web of Science ®Google Scholar
• Chou , L and Wollast , R . 1985 . American J. Sci. , 285 : 963
   Web of Science ®Google Scholar
• Knauss , KG and Wolery , TJ . 1987 . Geochimica et Cosmochimica Acta , 52 : 43
   Web of Science ®Google Scholar
• Mazer , JJ and Walther , JV . 1994 . J. Non-Cryst. Solids , 170 : 32
   Web of Science ®Google Scholar
• Oelkers , EH , Schott , J and Devidal , JL . 1994 . Geochimica et Cosmochimica Acta , 58 : 2011
   Web of Science ®Google Scholar
• Ostroverkhov , V , Waychunas , GA and Shen , YR . 2005 . Phys. Rev. Lett. , 94 : 04610
   Google Scholar
• Schwartzentruber , J , Furst , W and Renon , H . 1987 . Geochimica et Cosmochimica Acta , 51 : 1867
   Web of Science ®Google Scholar
• Stillings , LL and Brantley , SL . 1995 . Geochimica et Cosmochimica Acta , 59 : 1483
   Web of Science ®Google Scholar
• Wollast , R and Chou , L . 1988 . NATO ASI Series No. 251 , Edited by: Lerman , A and Meybeck , M . Geneva : NATO .
   Google Scholar
• Hayes , KF and Leckie , JO . 1987 . J. Colloid Interface Sci. , 115 : 564
   Web of Science ®Google Scholar
• Blum , AE and Stillings , LL . 1995 . Rev. Mineralogy , 31 : 291
   Google Scholar
• Kalinowski , BE and Schweda , P . 1996 . Geochimica et Cosmochimica Acta , 60 : 367
   Web of Science ®Google Scholar
• Frogner , P and Schweda , P . 1998 . Chem. Geo. , 151 : 169
   Web of Science ®Google Scholar
• Chen , Y and Brantley , SL . 1998 . Chem. Geo. , 147 : 233
   Web of Science ®Google Scholar
• Pokrovsky , OS and Schott , J . 2000 . Geochimica et Cosmochimica Acta , 64 : 3313
   Web of Science ®Google Scholar
• Oelkers , EH and Schott , J . 2001 . Geochimica et Cosmochimica Acta , 65 : 1219
   Web of Science ®Google Scholar
• Koretsky , CM , Sverjensky , DA and Sahai , N . 1998 . American J. Sci. , 298 : 349
   Web of Science ®Google Scholar
• Lasaga , AC . 1995 . Chemical Weathering Rates of Silicate Minerals: Fundamental Approaches in Describing Mineral Dissolution and Precipitation Rates , Edited by: White , AF and Brantley , SL . Vol. 31 , 23 – 86 . Mineralogical Society of America Short Course .
   Google Scholar
• Frisch , MJ , Trucks , GW , Schlegel , HB , Scuseria , GE , Robb , MA , Cheeseman , JR , Montgomery , JA , Jr , TV , Kudin , KN , Burant , JC , Millam , JM , Iyengar , SS , Tomasi , J , Barone , V , Mennucc , B , Cossi , M , Scalmani , G , Rega , N , Petersson , GA , Nakatsuji , H , Hada , M , Ehara , M , Toyota , K , Fukuda , R , Hasegawa , J , Ishida , M , Nakajima , T , Honda , Y , Kitao , O , Nakai , H , Klene , M , Li , X , Knox , JE , Hratchian , HP , Cross , JB , Bakken , V , Adamo , C , Jaramillo , J , Gomperts , R , Stratmann , RE , Yazyev , O , Austin , AJ , Cammi , R , Pomelli , C , Ochterski , JW , Ayala , PY , Morokuma , K , Voth , GA , Salvador , P , Dannenberg , JJ , Zakrzewski , VG , Dapprich , S , Daniels , AD , Strain , MC , Farkas , O , Malick , DK , Rabuck , AD , Raghavachari , K , Foresman , JB , Ortiz , JV , Cui , Q , Baboul , AG , Clifford , S , Cioslowski , J , Stefanov , BB , Liu , G , Liashenko , A , Piskorz , P , Komaromi , I , Martin , RL , Fox , DJ , Keith , T , Al-Laham , MA , Peng , CY , Nanayakkara , A , Challacombe , M , Gill , PMW , Johnson , B , Chen , W , Wong , MW , Gonzalez , C and Pople , JA . 2004 . Gaussian 03, Revision C.02 , Wallingford CT : Gaussian Inc. .
   Google Scholar
• Sousa , SF , Fernandes , PA and Ramos , MJ . 2007 . J. Phys. Chem. A , 111 : 10439
   PubMed Web of Science ®Google Scholar
• Zhang , Y , Li , ZH and Truhlar , DG . 2007 . J. Chem. Theo. Computat. , 3 : 593
   PubMed Web of Science ®Google Scholar
• Raghavachari , K . 1986 . J. Chem. Phys. , 84 : 5672
   Web of Science ®Google Scholar
• Gordon , MS and Truhlar , DG . 1986 . J. American Chem. Soci. , 108 : 5412
   Web of Science ®Google Scholar
• Raghavachari , K and Rohlfing , CM . 1991 . J. Chem. Phys. , 94 : 3670
   Web of Science ®Google Scholar
• Davis , LP , Burggraf , LW and Gordon , MS . 1988 . J. American Chem. Soc. , 110 : 3056
   Web of Science ®Google Scholar
• Teppen , BJ , Miller , DM , Newton , SQ and Schafer , L . 1994 . J. Phys. Chem. , 98 : 12545
   Web of Science ®Google Scholar
• Ribeiro-Claro , PJA and Amado , AM . 2000 . J. Mol. Struct.–Theochem. , 528 : 19
   Web of Science ®Google Scholar
• Frisch , MJ , Pople , JA and Binkley , JS . 1984 . J. Chem. Phys. , 80 : 3265
   Web of Science ®Google Scholar
• Berry , RS . 1960 . J. Chem. Phys. , 32 : 933
   Web of Science ®Google Scholar
• Xiao , Y and Lasaga , AC . 1994 . Geochimica et Cosmochimica Acta , 58 : 5379
   Web of Science ®Google Scholar