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Quantum Mechanical Continuum Solvation Models

Tomasi, Jacopo, Mennucci, Benedetta, Cammi, Roberto·2005·Chemical Reviews

Abstract

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTQuantum Mechanical Continuum Solvation ModelsJacopo Tomasi, Benedetta Mennucci, and Roberto CammiView Author Information Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, 56126 Pisa, Italy, and Dipartimento di Chimica, Università di Parma, Viale delle Scienze 17/A, 43100 Parma, Italy Cite this: Chem. Rev. 2005, 105, 8, 2999–3094Publication Date (Web):July 26, 2005Publication History Received6 January 2005Published online26 July 2005Published inissue 1 August 2005https://pubs.acs.org/doi/10.1021/cr9904009https://doi.org/10.1021/cr9904009research-articleACS PublicationsCopyright © 2005 American Chemical SocietyRequest reuse permissionsArticle Views40539Altmetric-Citations13824LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose SUBJECTS:Cavities,Molecules,Solution chemistry,Solvation,Solvents Get e-Alerts

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Research works printed but not linked: 911

  1. Tomasi J., 1994, Chem. Rev., 94, 2027, 10.1021/cr00031a013 · DOI
  2. Cramer C. J., 1999, Chem. Rev., 99, 2161, 10.1021/cr960149m · DOI · Paper page
  3. Orozco M., 2000, J. Chem. Rev., 100, 4187, 10.1021/cr990052a · DOI · Paper page
  4. Bonaccorsi R., 1970, J. Chem. Phys., 52, 5270, 10.1063/1.1672775 · DOI
  5. Huron M. J., 1972, J. Phys. Chem., 76, 2123, 10.1021/j100659a011 · DOI
  6. Rinaldi D., 1973, Theor. Chim. Acta, 32, 57, 10.1007/BF01209416 · DOI
  7. Tapia O., 1975, Mol. Phys., 29, 1653, 10.1080/00268977500101461 · DOI
  8. Miertuš S., 1981, Chem. Phys., 55, 117, 10.1016/0301-0104(81)85090-2 · DOI
  9. Jensen F., 1999, Introduction to Computational Chemistry
  10. Levine I., 1999, Quantum Chemistry
  11. Leach A. R., 2001, Molecular Modelling: Principles and Applications
  12. Cramer C. J., 2004, Essentials of Computational Chemistry: Theories and Models
  13. Onsager L., 1936, J. Am. Chem. Soc., 58, 1486, 10.1021/ja01299a050 · DOI
  14. Tomasi J., 2000, Theor. Chem. Acc., 103, 196, 10.1007/s002149900044 · DOI
  15. Wong M. W., 1995, J. Comput. Chem., 16, 385, 10.1002/jcc.540160312 · DOI
  16. Foresman J. B., 1996, J. Phys. Chem., 100, 16098, 10.1021/jp960488j · DOI · Paper page
  17. Frisch M. J., 2003, Gaussian 03, revision A.1
  18. Amovilli C., 1991, J. Mol. Struct. (THEOCHEM), 227, 1, 10.1016/0166-1280(91)85268-C · DOI
  19. Yin D. X., 1996, J. Phys. Chem., 100, 2588, 10.1021/jp9521971 · DOI
  20. Hoshino S., 1997, J. Am. Chem. Soc., 119, 8276, 10.1021/ja963376e · DOI
  21. Bentley J., 1998, J. Phys. Chem. A, 102, 6043, 10.1021/jp981760n · DOI
  22. Bentley J., 2000, J. Phys. Chem. A, 104, 9630, 10.1021/jp0021749 · DOI
  23. Bentley J., 2003, J. Chem. Phys., 119, 5449, 10.1063/1.1600435 · DOI
  24. Malolepsza E., 2003, J. Phys. Chem. A, 107, 5356, 10.1021/jp034423+ · DOI
  25. Bader R. F. W., 1990, Atoms in MoleculesA Quantum Theory, 10.1093/oso/9780198551683.001.0001 · DOI · Paper page
  26. Bondi A., 1964, J. Phys. Chem., 68, 441, 10.1021/j100785a001 · DOI · Paper page
  27. Rowland R. S., 1996, J. Phys. Chem., 100, 7384, 10.1021/jp953141+ · DOI
  28. Pauling L., 1960, The Nature of the Chemical Bond
  29. Rappe A. K., 1992, J. Am. Chem. Soc., 114, 10024, 10.1021/ja00051a040 · DOI · Paper page
  30. Connolly M. L., 1983, Science, 221, 709, 10.1126/science.6879170 · DOI · Paper page
  31. Connolly M. L., 1983, J. Appl. Crystallogr., 16, 548, 10.1107/S0021889883010985 · DOI
  32. Lee B., 1971, J. Mol. Biol., 55, 379, 10.1016/0022-2836(71)90324-X · DOI
  33. Richards F. M., 1977, Annu. Rev. Biophys. Bioeng., 6, 151, 10.1146/annurev.bb.06.060177.001055 · DOI · Paper page
  34. Greer J., 1978, Proc. Natl. Acad. Sci. U.S.A., 75, 303, 10.1073/pnas.75.1.303 · DOI
  35. Connolly M. L., 1993, J. Mol. Graph., 11, 139, 10.1016/0263-7855(93)87010-3 · DOI · Paper page
  36. Gogonea V., 1994, J. Mol. Struct. (THEOCHEM), 117, 305
  37. Gogonea V., 1995, J. Comput. Chem., 16, 817, 10.1002/jcc.540160703 · DOI
  38. Sanner M. F., 1996, Biopolymers, 38, 305, 10.1002/(SICI)1097-0282(199603)38:3<305::AID-BIP4>3.0.CO;2-Y · DOI · Paper page
  39. Pascual-Ahuir J. L., 1987, J. Comput. Chem., 8, 778, 10.1002/jcc.540080605 · DOI · Paper page
  40. Pascual-Ahuir J. L., 1990, J. Comput. Chem., 11, 1047, 10.1002/jcc.540110907 · DOI · Paper page
  41. Silla E., 1990, J. Mol. Graph., 8, 168, 10.1016/0263-7855(90)80059-O · DOI
  42. Silla E., 1991, J. Comput. Chem., 12, 1077, 10.1002/jcc.540120905 · DOI · Paper page
  43. Pomelli C. S., 1998, J. Comput. Chem., 19, 1758, 10.1002/(SICI)1096-987X(19981130)19:15<1758::AID-JCC8>3.0.CO;2-M · DOI
  44. Pomelli C. S., 1999, J. Comput. Chem., 20, 1693, 10.1002/(SICI)1096-987X(199912)20:16<1693::AID-JCC2>3.0.CO;2-B · DOI
  45. Amovilli C., 1998, Adv. Quant. Chem., 32, 227, 10.1016/S0065-3276(08)60416-5 · DOI
  46. Cossi M., 1998, J. Chem. Phys., 109, 6246, 10.1063/1.477265 · DOI
  47. Cammi R., 1995, J. Comput. Chem., 16, 1449, 10.1002/jcc.540161202 · DOI · Paper page
  48. Luque F. J., 1995, J. Chem. Phys., 103, 10183, 10.1063/1.469921 · DOI
  49. Colominas C., 1999, J. Comput. Chem., 20, 665, 10.1002/(SICI)1096-987X(199905)20:7<665::AID-JCC2>3.0.CO;2-W · DOI
  50. Luque F. J., 2003, Phys. Chem. Chem. Phys., 5, 3827, 10.1039/B306954K · DOI
  51. Morreale A., 2003, J. Comput. Chem., 24, 1610, 10.1002/jcc.10323 · DOI
  52. Curutchet C., 2003, J. Comput. Chem., 24, 284, 10.1002/jcc.10143 · DOI
  53. Basilevsky M. V., 1991, Chem. Phys., 157, 327, 10.1016/0301-0104(91)89026-7 · DOI
  54. Wiberg K. B., 1995, J. Phys. Chem., 99, 9072, 10.1021/j100022a019 · DOI
  55. Klamt A., 1993, J. Chem. Soc., Perkin Trans. 2, 799, 10.1039/P29930000799 · DOI · Paper page
  56. Stefanovich E. V., 1995, Chem. Phys. Lett., 244, 65, 10.1016/0009-2614(95)00898-E · DOI
  57. Truong T. N., 1995, Chem. Phys. Lett., 240, 253, 10.1016/0009-2614(95)00541-B · DOI · Paper page
  58. Barone V., 1998, J. Phys. Chem. A, 102, 1995, 10.1021/jp9716997 · DOI · Paper page
  59. Cossi M., 2003, J. Comput. Chem., 24, 669, 10.1002/jcc.10189 · DOI · Paper page
  60. Pye C. C., 1999, Theor. Chem. Acc., 101, 396, 10.1007/s002140050457 · DOI · Paper page
  61. Velde G. T., 2001, J. Comput. Chem., 22, 931, 10.1002/jcc.1056 · DOI · Paper page
  62. ADF, 2004, The Netherlands
  63. Chipman D. N., 2002, Theor. Chem. Acc., 107, 80, 10.1007/s00214-001-0302-1 · DOI
  64. Klamt A., 1995, J. Phys. Chem, 99, 2224, 10.1021/j100007a062 · DOI
  65. Klamt A., 1998, J. Phys. Chem. A, 102, 5074, 10.1021/jp980017s · DOI · Paper page
  66. Klamt A., 2000, Fluid Phase Equilib., 172, 43, 10.1016/S0378-3812(00)00357-5 · DOI · Paper page
  67. Mehler C., 2002, AIChE J., 48, 1093, 10.1002/aic.690480518 · DOI
  68. Klamt A., 2001, J. Comput.-Aided Mol. Des., 15, 355, 10.1023/A:1011111506388 · DOI
  69. Putnam R., 2003, Ind. Eng. Chem. Res., 42, 3635, 10.1021/ie020974v · DOI
  70. Gmb H, 2003, release C1.2
  71. Cancès E., 1997, J. Chem. Phys., 107, 3032, 10.1063/1.474659 · DOI
  72. Mennucci B., 1997, J. Phys. Chem. B, 101, 10506, 10.1021/jp971959k · DOI
  73. Cancès E., 1998, J. Math. Chem., 23, 309, 10.1023/A:1019133611148 · DOI
  74. Hackbusch W., 1995, Integral Equations: Theory and Numerical Treatment, 10.1007/978-3-0348-9215-5 · DOI
  75. Mennucci B., 1998, J. Chem. Phys., 109, 2798, 10.1063/1.476878 · DOI · Paper page
  76. Corni S., 2001, J. Chem. Phys., 114, 3739, 10.1063/1.1342241 · DOI
  77. Frediani L., 2004, J. Chem. Phys., 120, 3893, 10.1063/1.1643727 · DOI
  78. Chipman D. M., 1997, J. Chem. Phys., 106, 10194, 10.1063/1.474048 · DOI
  79. Zhan C. G., 1998, J. Chem. Phys., 108, 177, 10.1063/1.475371 · DOI
  80. Chipman D. M., 1999, J. Chem. Phys., 110, 8012, 10.1063/1.478729 · DOI
  81. Chipman D. M., 2000, J. Chem. Phys., 112, 5558, 10.1063/1.481133 · DOI · Paper page
  82. Chipman D. M., 2002, J. Chem. Phys., 116, 10129, 10.1063/1.1477928 · DOI
  83. Mennucci B., 1997, J. Chem. Phys., 106, 5151, 10.1063/1.473558 · DOI · Paper page
  84. Cancès E., 2001, J. Chem. Phys., 114, 4744, 10.1063/1.1349091 · DOI
  85. Cossi M., 2001, J. Chem. Phys., 114, 5691, 10.1063/1.1354187 · DOI
  86. Cossi M., 2002, J. Chem. Phys., 117, 43, 10.1063/1.1480445 · DOI
  87. Brebbia C. A., 1977, Appl. Math. Mod., 1, 372, 10.1016/0307-904X(77)90046-4 · DOI
  88. Pascual-Ahuir J. L., 1994, J. Comput. Chem., 15, 1127, 10.1002/jcc.540151009 · DOI
  89. Cossi M., 1996, J. Comput. Chem., 17, 57, 10.1002/(SICI)1096-987X(19960115)17:1<57::AID-JCC6>3.0.CO;2-# · DOI
  90. Pomelli C. S., 1998, Theor. Chem. Acc., 99, 34, 10.1007/s002140050300 · DOI
  91. Pomelli C. S., 2001, J. Comput. Chem., 22, 1262, 10.1002/jcc.1083 · DOI
  92. Frediani L., 2004, J. Comput. Chem., 25, 375, 10.1002/jcc.10381 · DOI
  93. Schmidt M. W., 1993, J. Comput. Chem., 14, 1347, 10.1002/jcc.540141112 · DOI · Paper page
  94. Scalmani G., 2002, J. Comput. Methods Sci. Eng., 2, 469
  95. Senn H. M., 2003, J. Chem. Phys., 118, 1089, 10.1063/1.1528890 · DOI
  96. Pomelli C., 2004, J. Comput. Chem., 25, 1532, 10.1002/jcc.20076 · DOI
  97. Mennucci B., 2003, Int. J. Quantum Chem., 93, 121, 10.1002/qua.10541 · DOI
  98. Zhan C. G., 1999, J. Chem. Phys., 110, 1611, 10.1063/1.477801 · DOI
  99. Chipman D. M., 1996, J. Chem. Phys., 104, 3276, 10.1063/1.471017 · DOI
  100. Purisima E. O., 1995, J. Comput. Chem., 16, 681, 10.1002/jcc.540160604 · DOI
  101. Purisima E. O., 1998, J. Comput. Chem., 19, 1494, 10.1002/(SICI)1096-987X(199810)19:13<1494::AID-JCC6>3.0.CO;2-L · DOI
  102. Greengard L. F., 1987, J. Comput. Phys., 73, 325, 10.1016/0021-9991(87)90140-9 · DOI · Paper page
  103. Strain M. C., 1996, J. Science, 271, 51
  104. White C. A., 1996, Chem. Phys. Lett., 253, 268, 10.1016/0009-2614(96)00175-3 · DOI · Paper page
  105. Challacombe M., 1997, J. Chem. Phys., 106, 5526, 10.1063/1.473575 · DOI
  106. Scalmani G., 2004, J. Theor. Chem. Acc., 111, 90, 10.1007/s00214-003-0527-2 · DOI
  107. York D. M., 1999, J. Phys. Chem. A., 103, 11060, 10.1021/jp992097l · DOI · Paper page
  108. Kirkwood J. G., 1934, J. Chem. Phys., 2, 767, 10.1063/1.1749393 · DOI
  109. Cossi M., 1998, Chem. Phys. Lett., 286, 253, 10.1016/S0009-2614(98)00106-7 · DOI · Paper page
  110. Chipman D. M., 2004, J. Chem. Phys., 120, 5566, 10.1063/1.1648632 · DOI
  111. Yoon B. J., 1990, J. Comput. Chem., 11, 1080, 10.1002/jcc.540110911 · DOI
  112. Zauhar R. J., 1990, J. Comput. Chem., 11, 603, 10.1002/jcc.540110509 · DOI
  113. Zauhar R. J., 1991, J. Comput. Chem., 12, 575, 10.1002/jcc.540120507 · DOI
  114. Juffer A. H., 1991, J. Comput. Chem., 97, 144
  115. Yoon B. J., 1992, J. Phys. Chem., 96, 3130, 10.1021/j100186a064 · DOI
  116. Zauhar R. J., 1995, J. Comput.-Aided Mol. Des., 9, 149, 10.1007/BF00124405 · DOI
  117. Juffer A. H., 1997, J. Phys. Chem. B, 101, 7664, 10.1021/jp9715944 · DOI
  118. Zhou H. X., 1993, Biophys. J., 65, 955, 10.1016/S0006-3495(93)81094-4 · DOI
  119. Liang J., 1997, Biophys. J., 73, 1830, 10.1016/S0006-3495(97)78213-4 · DOI
  120. Zauhar R. J., 1996, J. Comput. Chem., 17, 864, 10.1002/(SICI)1096-987X(199605)17:7<864::AID-JCC10>3.0.CO;2-B · DOI
  121. Boschitsch A. H., 2002, J. Phys. Chem. B, 106, 2741, 10.1021/jp013607q · DOI
  122. Xiang Z. X., 1994, J. Phys. Chem., 98, 12782, 10.1021/j100099a049 · DOI
  123. Kirkwood J. G., 1939, J. Chem. Phys., 7, 911, 10.1063/1.1750343 · DOI · Paper page
  124. Onsager L., 1936, J. Am. Chem. Soc., 58, 1486, 10.1021/ja01299a050 · DOI
  125. Wong M. A., 1991, J. Am. Chem. Soc., 113, 4776, 10.1021/ja00013a010 · DOI
  126. Wong M. A., 1992, J. Am. Chem. Soc., 114, 523, 10.1021/ja00028a019 · DOI
  127. Mikkelsen K. V., 1988, J. Chem. Phys., 89, 3086, 10.1063/1.454965 · DOI
  128. Helgaker H., 2001, release 1.2
  129. Mikkelsen K. V., 1994, J. Chem. Phys., 100, 6597, 10.1063/1.467069 · DOI
  130. Mikkelsen K. V., 1995, J. Chem. Phys., 103, 9010, 10.1063/1.470011 · DOI
  131. Mikkelsen K. V., 1996, J. Phys. Chem., 100, 9116, 10.1021/jp9535405 · DOI
  132. Sylvester-Hvid K. O., 1998, J. Chem. Phys., 109, 5576, 10.1063/1.477175 · DOI
  133. Christiansen O., 1999, J. Chem. Phys., 110, 8348, 10.1063/1.478745 · DOI
  134. Christiansen O., 1999, J. Chem. Phys., 110, 1365, 10.1063/1.478026 · DOI
  135. Osted A., 2003, Mol. Phys., 101, 2055, 10.1080/0026897031000109338 · DOI
  136. Kongsted J., 2004, J. Chem. Phys., 120, 3787, 10.1063/1.1642593 · DOI
  137. Rivail J. L., 1976, Chem. Phys., 18, 233, 10.1016/0301-0104(76)87050-4 · DOI
  138. Rinaldi D., 2004, J. Chem. Phys., 120, 2343, 10.1063/1.1635355 · DOI
  139. Bottcher C. J. F., 1973, Theory of Electric Polarization
  140. Dillet V., 1996, J. Chem. Phys., 104, 9437, 10.1063/1.471688 · DOI
  141. Born M., 1920, Z. Phys., 1, 45, 10.1007/BF01881023 · DOI · Paper page
  142. Still W. C., 1990, J. Am. Chem. Soc., 112, 6127, 10.1021/ja00172a038 · DOI
  143. Bashford D., 2000, Annu. Rev. Phys. Chem., 51, 129, 10.1146/annurev.physchem.51.1.129 · DOI · Paper page
  144. Schaefer M., 1996, J. Phys. Chem., 100, 1578, 10.1021/jp9521621 · DOI · Paper page
  145. Hsu C. P., 1999, J. Chem. Phys., 111, 9700, 10.1063/1.480303 · DOI
  146. Babu C. S., 2001, J. Chem. Phys., 114, 889, 10.1063/1.1331355 · DOI
  147. Lee M. S., 2002, J. Chem. Phys., 116, 10606, 10.1063/1.1480013 · DOI · Paper page
  148. Lee M. S., 2003, J. Comput. Chem., 24, 1348, 10.1002/jcc.10272 · DOI
  149. Qiu D., 1997, J. Phys. Chem. A, 101, 3005, 10.1021/jp961992r · DOI · Paper page
  150. MacKerell A. D., 1998, J. Phys. Chem. B, 102, 3586, 10.1021/jp973084f · DOI · Paper page
  151. Dominy B. N., 1999, J. Phys. Chem. B, 103, 3765, 10.1021/jp984440c · DOI · Paper page
  152. Cheng A., 2000, J. Mol. Graphics Modell., 18, 273, 10.1016/S1093-3263(00)00038-3 · DOI
  153. Zagrovic B., 2001, J. Mol. Biol., 313, 151, 10.1006/jmbi.2001.5033 · DOI · Paper page
  154. Hawkins G. D., 1995, Chem. Phys. Lett., 246, 122, 10.1016/0009-2614(95)01082-K · DOI
  155. Hawkins G. D., 1996, J. Phys. Chem., 100, 19824, 10.1021/jp961710n · DOI
  156. Onufriev A., 2000, J. Phys. Chem. B, 104, 3712, 10.1021/jp994072s · DOI · Paper page
  157. Sheinerman F. B., 2000, Barry Curr. Opin. Struct. Biol., 10, 153, 10.1016/S0959-440X(00)00065-8 · DOI
  158. Tsui V., 2001, Biopolymers, 56, 275, 10.1002/1097-0282(2000)56:4<275::AID-BIP10024>3.0.CO;2-E · DOI
  159. Cramer C. J., 1999, Chem. Rev., 99, 2161, 10.1021/cr960149m · DOI · Paper page
  160. Thompson J. D., 2004, J. Phys. Chem. A, 108, 6532, 10.1021/jp0496295 · DOI
  161. Zhu T. H., 1998, J. Chem. Phys., 109, 9117, 10.1063/1.476521 · DOI
  162. Li J. B., 1998, Chem. Phys. Lett., 288, 293, 10.1016/S0009-2614(98)00194-8 · DOI
  163. Zhu T. H., 1999, J. Chem. Phys., 110, 5503, 10.1063/1.478447 · DOI
  164. Li J. B., 1999, Theor. Chem. Acc., 103, 9, 10.1007/s002140050513 · DOI
  165. Storer J. W., 1995, J. Comput.-Aided Mol. Des., 9, 87, 10.1007/BF00117280 · DOI · Paper page
  166. Giesen D. J., 1995, J. Am. Chem. Soc., 117, 1057, 10.1021/ja00108a023 · DOI
  167. Cortis C. M., 1996, J. Chem. Phys., 105, 5472, 10.1063/1.472388 · DOI
  168. Cortis C. M., 1997, J. Comput. Chem., 18, 1570, 10.1002/(SICI)1096-987X(199710)18:13<1570::AID-JCC2>3.0.CO;2-O · DOI
  169. Cortis C. M., 1997, J. Comput. Chem., 18, 1591, 10.1002/(SICI)1096-987X(199710)18:13<1591::AID-JCC3>3.0.CO;2-M · DOI
  170. Baker N. A., 2001, Proc. Natl. Acad. Sci. U.S.A., 98, 10037, 10.1073/pnas.181342398 · DOI
  171. Klapper, I.; Hagstrom, R.; Fine, R.; Sharp, K.; Honig, B. Proteins: Struct. , Funct. Genet. 1986 , 1 , 47. · DOI · Paper page
  172. Warwicker J., 1986, J. Theor. Biol., 121, 199, 10.1016/S0022-5193(86)80093-5 · DOI
  173. Bashford D., 1990, Biochemistry, 29, 10219, 10.1021/bi00496a010 · DOI · Paper page
  174. Davis M. E., 1990, Biophys. J., 57, A415
  175. Davis M. E., 1991, Comput. Phys. Commun., 62, 187, 10.1016/0010-4655(91)90094-2 · DOI
  176. Madura J. D., 1995, Comput. Phys. Commun., 91, 57, 10.1016/0010-4655(95)00043-F · DOI
  177. Nicholls A., 1991, J. Comput. Chem., 12, 435, 10.1002/jcc.540120405 · DOI
  178. Honig B., 1995, Science, 268, 1144, 10.1126/science.7761829 · DOI
  179. Holst M., 1993, J. Comput. Chem., 14, 105, 10.1002/jcc.540140114 · DOI
  180. Li J., 1998, J. Phys. Chem. A, 102, 10.1063/1.476526 · DOI
  181. Dillet V., 1998, Biochemistry, 37, 10298, 10.1021/bi980333x · DOI
  182. Holst M., 2000, J. Comput. Chem., 21, 1319, 10.1002/1096-987X(20001130)21:15<1319::AID-JCC1>3.0.CO;2-8 · DOI
  183. Baker N., 2000, J. Comput. Chem., 21, 1343, 10.1002/1096-987X(20001130)21:15<1343::AID-JCC2>3.0.CO;2-K · DOI
  184. McWeeny R., 1992, Methods of Molecular Quantum Mechanics
  185. Klamt A., 1996, J. Chem. Phys., 105, 9972, 10.1063/1.472829 · DOI
  186. Cancès E., 2001, J. Chem. Phys., 115, 6130, 10.1063/1.1401157 · DOI
  187. Chipman D. M., 2000, J. Phys. Chem. A, 104, 11816, 10.1021/jp003039z · DOI
  188. Medeiros L. A., 1979, J. Math. Anal. Appl., 69, 252, 10.1016/0022-247X(79)90192-6 · DOI
  189. Yomosa S., 1973, J. Phys. Soc. Jpn., 35, 1738, 10.1143/JPSJ.35.1738 · DOI
  190. Sanhueza J. E., 1979, J. Chem. Phys., 70, 3096, 10.1063/1.437797 · DOI
  191. Tapia O., 1981, J. Chem. Phys., 91, 3624, 10.1063/1.442434 · DOI
  192. Sanhueza J. E., 1982, J. Mol. Struct. (THEOCHEM), 6, 131, 10.1016/0166-1280(82)80160-7 · DOI
  193. Cioslowski J., 1987, Phys. Rev. A, 36, 376
  194. Heimsoeth B., 1990, Int. J. Quantum Chem., 37, 85, 10.1002/qua.560370107 · DOI
  195. Amovilli C., 1998, J. Phys. Chem. B, 102, 3023, 10.1021/jp9803945 · DOI
  196. Cossi M., 1999, J. Chem. Phys., 111, 5295, 10.1063/1.479788 · DOI
  197. Aguilar M. A., 1993, J. Chem. Phys., 98, 7375, 10.1063/1.464728 · DOI
  198. Cammi R., 2002, J. Chem. Phys., 117, 13, 10.1063/1.1480871 · DOI
  199. Cammi R., 2003, J. Chem. Phys., 119, 5818, 10.1063/1.1603728 · DOI
  200. Bonaccorsi R., 1983, J. Comput. Chem., 4, 567, 10.1002/jcc.540040416 · DOI

200 of 911 shown

Cited by

Metadata

Authors
Tomasi, J., Mennucci, B., & Cammi, R.
Venue
Chemical Reviews
Published
2005-07-26
Volume
105
Issue
8
Pages
2999-3094
ISSN
  • 0009-2665 (ISSN-L)
  • 1520-6890
OpenAlex
W1997151511
Cited by
16,868
References
2
FWCI
11.81
Type
journal article
Language
en
Open access
closed

About these checks

Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.

Statistics and arithmetic are recomputed, not judged.

Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.

What counts as a claim ›How we measure confidence ›How we check this ›

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Data sources

Bibliographic data: Semantic Scholar, OpenAlex, Crossref.

Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.