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General Introduction

  • Gui-Juan ChengEmail author
Chapter
  • 354 Downloads
Part of the Springer Theses book series (Springer Theses)

Abstract

This chapter provides a general introduction to the main topics of the present thesis. In the first part of this chapter, the advantages and challenges of direct C–H activation, recent progresses in meta–selective C–H activation as well as asymmetric C–H activation and functionalization will be briefly reviewed. In the second and third parts of this chapter, introductions to mass spectrometry and computational chemistry as well as their applications in mechanistic studies will be presented.

Keywords

Collision Induce Dissociation Drift Time Collision Cross Section Bond Activation Reductive Elimination 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

References

  1. 1.
    Wender PA, Verma VA, Paxton TJ, Pillow TH (2008) Acc Chem Res 41:40CrossRefGoogle Scholar
  2. 2.
    Trost BM (1995) Angew Chem Int Ed Engl 34:259CrossRefGoogle Scholar
  3. 3.
    Trost BM (1991) Science 254:1471CrossRefGoogle Scholar
  4. 4.
    Miyaura N, Suzuki A (1995) Chem Rev 95:2457CrossRefGoogle Scholar
  5. 5.
    Milstein D, Stille JK (1978) J Am Chem Soc 100:3636CrossRefGoogle Scholar
  6. 6.
    Heck RF (1979) Acc Chem Res 12:146CrossRefGoogle Scholar
  7. 7.
    Dieck HA, Heck FR (1975) J Organomet Chem 93:259CrossRefGoogle Scholar
  8. 8.
    King AO, Okukado N, Negishi E-I (1977) J Chem Soc, Chem Commun: 683Google Scholar
  9. 9.
  10. 10.
    Bergman RG (2007) Nature 446:391CrossRefGoogle Scholar
  11. 11.
    Davies HML, Manning JR (2008) Nature 451:417CrossRefGoogle Scholar
  12. 12.
    Chen X, Engle KM, Wang D-H, Yu J-Q (2009) Angew Chem Int Ed 48:5094CrossRefGoogle Scholar
  13. 13.
    Daugulis O, Do H-Q, Shabashov D (2009) Acc Chem Res 42:1074Google Scholar
  14. 14.
    Lyons TW, Sanford MS (2010) Chem Rev 110:1147CrossRefGoogle Scholar
  15. 15.
    Davies HML, Du Bois J, Yu J-Q (2011) Chem Soc Rev 40:1855Google Scholar
  16. 16.
    Yeung CS, Dong VM (2011) Chem Rev 111:1215CrossRefGoogle Scholar
  17. 17.
    Kuhl N, Hopkinson MN, Wencel-Delord J, Glorius F (2012) Angew Chem Int Ed 51:10236CrossRefGoogle Scholar
  18. 18.
    Lafrance M, Rowley CN, Woo TK, Fagnou K (2006) J Am Chem Soc 128:8754CrossRefGoogle Scholar
  19. 19.
    Lafrance M, Fagnou K (2006) J Am Chem Soc 128:16496CrossRefGoogle Scholar
  20. 20.
    Beck EM, Grimster NP, Hatley R, Gaunt MJ (2006) J Am Chem Soc 128:2528CrossRefGoogle Scholar
  21. 21.
    Kleiman JP, Dubeck M (1963) J Am Chem Soc 85:1544CrossRefGoogle Scholar
  22. 22.
    Wu X, Zhao Y, Ge H (2015) Chem Sci 6:5978CrossRefGoogle Scholar
  23. 23.
    Zhang Q, Yin X-S, Chen K, Zhang S-Q, Shi B-F (2015) J Am Chem Soc 137:8219CrossRefGoogle Scholar
  24. 24.
    Yang Y, Liu P (2015) ACS Catal. 5:2944CrossRefGoogle Scholar
  25. 25.
    Stephens DE, Larionov OV (2015) Tetrahedron 71:8683CrossRefGoogle Scholar
  26. 26.
    Colby DA, Tsai AS, Bergman RG, Ellman JA (2011) Acc Chem Res 45:814CrossRefGoogle Scholar
  27. 27.
    DiPoto MC, Hughes RP, Wu J (2015) J Am Chem Soc 137:14861Google Scholar
  28. 28.
    Giri R, Yu J-Q (2008) J Am Chem Soc 130:14082CrossRefGoogle Scholar
  29. 29.
    Giri R, Maugel N, Li J-J, Wang D-H, Breazzano SP, Saunders LB, Yu J-Q (2007) J Am Chem Soc 129:3510CrossRefGoogle Scholar
  30. 30.
    Li S, Cai L, Ji H, Yang L, Li G (2016) Nat Commun 7Google Scholar
  31. 31.
    Lu Y, Wang D-H, Engle KM, Yu J-Q (2010) J Am Chem Soc 132:5916CrossRefGoogle Scholar
  32. 32.
    Wasa M, Yu J-Q (2010) Tetrahedron 66:4811Google Scholar
  33. 33.
    Xiao K-J, Chu L, Yu J-Q (2016) Angew Chem Int Ed 55:2856CrossRefGoogle Scholar
  34. 34.
    Funes-Ardoiz I, Maseras F (2016) Angew Chem Int Ed 55:2764CrossRefGoogle Scholar
  35. 35.
    Keary Engle (2016) M. Pure Appl Chem 88:119Google Scholar
  36. 36.
    Shi Z, Li B, Wan X, Cheng J, Fang Z, Cao B, Qin C, Wang Y (2007) Angew Chem Int Ed 46:5554CrossRefGoogle Scholar
  37. 37.
    Yang S, Li B, Wan X, Shi Z (2007) J Am Chem Soc 129:6066CrossRefGoogle Scholar
  38. 38.
    Giri R, Lam JK, Yu J-Q (2009) J Am Chem Soc 132:686CrossRefGoogle Scholar
  39. 39.
    Boele MDK, van Strijdonck GPF, de Vries AHM, Kamer PCJ, de Vries JG, van Leeuwen PWNM (2002) J Am Chem Soc 124:1586CrossRefGoogle Scholar
  40. 40.
    He G, Wang B, Nack WA, Chen G (2016) Acc Chem Res 49:635Google Scholar
  41. 41.
    Zaitsev VG, Shabashov D, Daugulis O (2005) J Am Chem Soc 127:13154CrossRefGoogle Scholar
  42. 42.
    Rouquet G, Chatani N (2013) Angew Chem Int Ed 52:11726CrossRefGoogle Scholar
  43. 43.
    Zhang F, Spring DR (2014) Chem Soc Rev 43:6906CrossRefGoogle Scholar
  44. 44.
    Rousseau G, Breit B (2011) Angew Chem Int Ed 50:2450CrossRefGoogle Scholar
  45. 45.
    Zhang Y-H, Shi B-F, Yu J-Q (2009) J Am Chem Soc 131:5072CrossRefGoogle Scholar
  46. 46.
    Zhang S, Shi L, Ding Y (2011) J Am Chem Soc 133:20218CrossRefGoogle Scholar
  47. 47.
    Phipps RJ, Gaunt MJ (2009) Science 323:1593CrossRefGoogle Scholar
  48. 48.
    Daugulis O, Zaitsev VG (2005) Angew Chem Int Ed 44:4046CrossRefGoogle Scholar
  49. 49.
    Chen B, Hou X-L, Li Y-X, Wu Y-D (2011) J Am Chem Soc 133:7668CrossRefGoogle Scholar
  50. 50.
    Saidi O, Marafie J, Ledger AEW, Liu PM, Mahon MF, Kociok-Köhn G, Whittlesey MK, Frost CG (2011) J Am Chem Soc 133:19298CrossRefGoogle Scholar
  51. 51.
    Liu DJ, Yu HZ, Fu Y (2013) Acta Chim Sin 71:1385CrossRefGoogle Scholar
  52. 52.
    Hofmann N, Ackermann L (2013) J Am Chem Soc 135:5877CrossRefGoogle Scholar
  53. 53.
    Juliá-Hernández F, Simonetti M, Larrosa I (2013) Angew Chem Int Ed 52:11458CrossRefGoogle Scholar
  54. 54.
    Paterson AJ, St John-Campbell S, Mahon MF, Press NJ, Frost CG (2015) Chem Commun 51:12807Google Scholar
  55. 55.
    Li Z-Y, Li L, Li Q-L, Jing K, Xu H, Wang G-W (2017) Chem Eur J 23:3285Google Scholar
  56. 56.
    Ruan Z, Zhang S-K, Zhu C, Ruth PN, Stalke D, Ackermann L (2017) Angew Chem Int Ed 56:2045CrossRefGoogle Scholar
  57. 57.
    Leow D, Li G, Mei T-S, Yu J-Q (2012) Nature 486:518CrossRefGoogle Scholar
  58. 58.
    Dai H-X, Li G, Zhang X-G, Stepan AF, Yu J-Q (2013) J Am Chem Soc 135:7567CrossRefGoogle Scholar
  59. 59.
    Lee S, Lee H, Tan KL (2013) J Am Chem Soc 135:18778CrossRefGoogle Scholar
  60. 60.
    Wan L, Dastbaravardeh N, Li G, Yu J-Q (2013) J Am Chem Soc 135:18056CrossRefGoogle Scholar
  61. 61.
    Bera M, Modak A, Patra T, Maji A, Maiti D (2014) Org Lett 16:5760CrossRefGoogle Scholar
  62. 62.
    Tang R-Y, Li G, Yu J-Q (2014) Nature 507:215CrossRefGoogle Scholar
  63. 63.
    Yang G, Lindovska P, Zhu D, Kim J, Wang P, Tang R-Y, Movassaghi M, Yu J-Q (2014) J Am Chem Soc 136:10807CrossRefGoogle Scholar
  64. 64.
    Bag S, Patra T, Modak A, Deb A, Maity S, Dutta U, Dey A, Kancherla R, Maji A, Hazra A, Bera M, Maiti D (2015) J Am Chem Soc 137:11888CrossRefGoogle Scholar
  65. 65.
    Bera M, Maji A, Sahoo SK, Maiti D (2015) Angew Chem Int Ed 54:8515CrossRefGoogle Scholar
  66. 66.
    Deng Y, Yu J-Q (2015) Angew Chem Int Ed 54:888CrossRefGoogle Scholar
  67. 67.
    Frost CG, Paterson AJ (2015) ACS Cent Sci 1:418CrossRefGoogle Scholar
  68. 68.
    Li S, Ji H, Cai L, Li G (2015) Chem Sci 6:5595CrossRefGoogle Scholar
  69. 69.
    Maji A, Bhaskararao B, Singha S, Sunoj RB, Maiti D (2016) Chem Sci 7:3147CrossRefGoogle Scholar
  70. 70.
    Chu L, Shang M, Tanaka K, Chen Q, Pissarnitski N, Streckfuss E, Yu J-Q (2015) ACS Cent Sci 1:394CrossRefGoogle Scholar
  71. 71.
    Xu H-J, Lu Y, Farmer ME, Wang H-W, Zhao D, Kang Y-S, Sun W-Y, Yu J-Q (2017) J Am Chem Soc 139:2200CrossRefGoogle Scholar
  72. 72.
    Cheng C, Hartwig JF (2014) Science 343:853CrossRefGoogle Scholar
  73. 73.
    Luo J, Preciado S, Larrosa I (2014) J Am Chem Soc 136:4109CrossRefGoogle Scholar
  74. 74.
    Wang XC, Gong W, Fang LZ, Zhu RY, Li SH, Engle KM, Yu JQ (2015) Nature 519:334CrossRefGoogle Scholar
  75. 75.
    Shen P-X, Wang X-C, Wang P, Zhu R-Y, Yu J-Q (2015) J Am Chem Soc 137:11574CrossRefGoogle Scholar
  76. 76.
    Ye J, Lautens M (2015) Nat Chem 7:863CrossRefGoogle Scholar
  77. 77.
    Wang P, Li G-C, Jain P, Farmer ME, He J, Shen P-X, Yu J-Q (2016) J Am Chem Soc 138:14092CrossRefGoogle Scholar
  78. 78.
    Wang P, Farmer ME, Huo X, Jain P, Shen P-X, Ishoey M, Bradner JE, Wisniewski SR, Eastgate MD, Yu J-Q (2016) J Am Chem Soc 138:9269CrossRefGoogle Scholar
  79. 79.
    Della Ca’ N, Fontana M, Motti E, Catellani M (2016) Acc Chem Res 49:1389Google Scholar
  80. 80.
    Kuninobu Y, Ida H, Nishi M, Kanai M (2015) Nat Chem 7:712CrossRefGoogle Scholar
  81. 81.
    Davis HJ, Mihai MT, Phipps RJ (2016) J Am Chem Soc 138:12759CrossRefGoogle Scholar
  82. 82.
    Chu L, Wang X-C, Moore CE, Rheingold AL, Yu J-Q (2013) J Am Chem Soc 135:16344CrossRefGoogle Scholar
  83. 83.
    Yang L, Huang H (2012) Catal Sci Technol 2:1099Google Scholar
  84. 84.
    Wencel-Delord J, Colobert F (2013) Chem Eur J 19:14010CrossRefGoogle Scholar
  85. 85.
    Zheng C, You S-L (2014) RSC Adv 4:6173CrossRefGoogle Scholar
  86. 86.
    Bera M, Sahoo SK, Maiti D (2016) ACS Catal 6:3575CrossRefGoogle Scholar
  87. 87.
    Shi B-F, Maugel N, Zhang Y-H, Yu J-Q (2008) Angew Chem Int Ed 47:4882CrossRefGoogle Scholar
  88. 88.
    Shi B-F, Zhang Y-H, Lam JK, Wang D-H, Yu J-Q (2009) J Am Chem Soc 132:460CrossRefGoogle Scholar
  89. 89.
    Cheng X-F, Li Y, Su Y-M, Yin F, Wang J-Y, Sheng J, Vora HU, Wang X-S, Yu J-Q (2013) J Am Chem Soc 135:1236CrossRefGoogle Scholar
  90. 90.
    Gao D-W, Shi Y-C, Gu Q, Zhao Z-L, You S-L (2012) J Am Chem Soc 135:86CrossRefGoogle Scholar
  91. 91.
    Pi C, Li Y, Cui X, Zhang H, Han Y, Wu Y (2013) Chem. Sci. 4:2675CrossRefGoogle Scholar
  92. 92.
    Chu L, Xiao K-J, Yu J-Q (2014) Science 346:451Google Scholar
  93. 93.
    Chan KSL, Fu H-Y, Yu J-Q (2015) J Am Chem Soc 137:2042Google Scholar
  94. 94.
    Xiao K-J, Chu L, Chen G, Yu J-Q (2016) J Am Chem Soc 138:7796Google Scholar
  95. 95.
    Albicker MR, Cramer N (2009) Angew Chem Int Ed 48:9139Google Scholar
  96. 96.
    Anas S, Cordi A, Kagan HB (2011) Chem Commun 47:11483Google Scholar
  97. 97.
    Nakanishi M, Katayev D, Besnard C, Kündig EP (2011) Angew Chem Int Ed 50:7438Google Scholar
  98. 98.
    Martin N, Pierre C, Davi M, Jazzar R, Baudoin O (2012) Chem Eur J 18:4480Google Scholar
  99. 99.
    Saget T, Cramer N (2013) Angew Chem Int Ed 52:7865Google Scholar
  100. 100.
    Saget T, Lemouzy SJ, Cramer N (2012) Angew Chem Int Ed 51:2238Google Scholar
  101. 101.
    Saget T, Cramer N (2012) Angew Chem Int Ed 51:12842Google Scholar
  102. 102.
    Sevov CS, Hartwig JF (2013) J Am Chem Soc 135:2116CrossRefGoogle Scholar
  103. 103.
    Thalji RK, Ellman JA, Bergman RG (2004) J Am Chem Soc 126:7192CrossRefGoogle Scholar
  104. 104.
    Brussee J, Jansen ACA (1983) Tetrahedron Lett 24:3261CrossRefGoogle Scholar
  105. 105.
    Brussee J, Groenendijk JLG, te Koppele JM, Jansen ACA (1985) Tetrahedron 41:3313CrossRefGoogle Scholar
  106. 106.
    Smrcina M, Lorenc M, Hanus V, Sedmera P, Kocovsky P (1992) J Org Chem 57:1917Google Scholar
  107. 107.
  108. 108.
    Sundqvist B, Macfarlane RD (1985) Mass Spectrom Rev 4: 421Google Scholar
  109. 109.
    Barber M, Bordoli RS, Elliott GJ, Sedgwick RD, Tyler AN, Green BN (1982) J Chem Soc, Chem Commun 936Google Scholar
  110. 110.
    Yamashita M, Fenn JB (1984) J Phys Chem 88:4451Google Scholar
  111. 111.
    Tanaka K, Waki H, Ido Y, Akita S, Yoshida Y, Yoshida T, Matsuo T (1988) Rapid Commun Mass Spectrom 2:151Google Scholar
  112. 112.
    Colton R, D’Agostino A, Traeger JC (1995) Mass Spectrom Rev 14:79CrossRefGoogle Scholar
  113. 113.
    Nachtigall FM, Eberlin MN (2010) Reactive intermediates. Wiley-VCH Verlag GmbH & Co. KGaA, p 63Google Scholar
  114. 114.
    Qian R, Zhou J, Yao S, Wang H, Guo Y (2010) Reactive intermediates. Wiley-VCH Verlag GmbH & Co. KGaA, p 113Google Scholar
  115. 115.
    Santos LS (2010) Reactive intermediates. Wiley-VCH Verlag GmbH & Co. KGaA, p 133Google Scholar
  116. 116.
    Schröder D (2012) Acc Chem Res 45:1521CrossRefGoogle Scholar
  117. 117.
    Cheng ZL, Siu KWM, Guevremont R, Berman SS (1992) J Am Soc Mass Spectrom 3:281CrossRefGoogle Scholar
  118. 118.
    Jurneczko E, Barran PE (2011) Analyst 136:20CrossRefGoogle Scholar
  119. 119.
    Ruotolo BT, Giles K, Campuzano I, Sandercock AM, Bateman RH, Robinson CV (2005) Science 310:1658CrossRefGoogle Scholar
  120. 120.
    Laganowsky A, Reading E, Allison TM, Ulmschneider MB, Degiacomi MT, Baldwin AJ, Robinson CV (2014) Nature 510:172CrossRefGoogle Scholar
  121. 121.
    Zhou M, Politis A, Davies R, Liko I, Wu K-J, Stewart AG, Stock D, Robinson CV (2014) Nat Chem 6:208CrossRefGoogle Scholar
  122. 122.
    Wu C, Murray MM, Bernstein SL, Condron MM, Bitan G, Shea JE, Bowers MT (2009) J Mol Biol 387:492CrossRefGoogle Scholar
  123. 123.
    Teplow DB, Lazo ND, Bitan G, Bernstein S, Wyttenbach T, Bowers MT, Baumketner A, Shea J-E, Urbanc B, Cruz L, Borreguero J, Stanley HE (2006) Acc Chem Res 39:635CrossRefGoogle Scholar
  124. 124.
    Bowers MT (2014) Int J Mass Spectrom 370:75CrossRefGoogle Scholar
  125. 125.
    Bernstein SL, Wyttenbach T, Baumketner A, Shea J-E, Bitan G, Teplow DB, Bowers MT (2005) J Am Chem Soc 127:2075CrossRefGoogle Scholar
  126. 126.
    Bernstein SL, Dupuis NF, Lazo ND, Wyttenbach T, Condron MM, Bitan G, Teplow DB, Shea J-E, Ruotolo BT, Robinson CV, Bowers MT (2009) Nat Chem 1:326CrossRefGoogle Scholar
  127. 127.
    Baumketner A, Bernstein SL, Wyttenbach T, Bitan G, Teplow DB, Bowers MT, Shea J-E (2006) Protein Sci 15:420CrossRefGoogle Scholar
  128. 128.
    Révész Á, Schröder D, Rokob TA, Havlík M, Dolenský B (2011) Angew Chem Int Ed 50:2401CrossRefGoogle Scholar
  129. 129.
    Shaffer CJ, Schröder D, Gütz C, Lützen A (2012) Angew Chem Int Ed 51:8097CrossRefGoogle Scholar
  130. 130.
    Ducháčková L, Roithová J, Milko P, Žabka J, Tsierkezos N, Schröder D (2010) Inorg Chem 50:771CrossRefGoogle Scholar
  131. 131.
    Tsybizova A, Rulíšek L, Schröder D, Rokob TA (2012) J Phys Chem A 117:1171CrossRefGoogle Scholar
  132. 132.
    Schröder D, Buděšínský M, Roithová J (2012) J Am Chem Soc 134:15897CrossRefGoogle Scholar
  133. 133.
    Revesz A, Schröder D, Rokob TA, Havlik M, Dolensky B (2012) Phys Chem Chem Phys 14:6987Google Scholar
  134. 134.
    Harvey SR, MacPhee CE, Barran PE (2011) Methods 54:454CrossRefGoogle Scholar
  135. 135.
    Lanucara F, Holman SW, Gray CJ, Eyers CE (2014) Nat Chem 6:281CrossRefGoogle Scholar
  136. 136.
    Wyttenbach T, Kemper PR, Bowers MT (2001) Int J Mass Spectrom 212:13CrossRefGoogle Scholar
  137. 137.
    Canterbury JD, Yi X, Hoopmann MR, MacCoss M (2008) J Anal Chem 80:6888CrossRefGoogle Scholar
  138. 138.
    Purves RW, Guevremont R (1999) Anal Chem 71:2346CrossRefGoogle Scholar
  139. 139.
    Giles K, Pringle SD, Worthington KR, Little D, Wildgoose JL, Bateman RH (2004) Rapid Commun Mass Spectrom 18:2401CrossRefGoogle Scholar
  140. 140.
  141. 141.
    Pringle SD, Giles K, Wildgoose JL, Williams JP, Slade SE, Thalassinos K, Bateman RH, Bowers MT, Scrivens JH (2007) Int J Mass Spectrom 261:1CrossRefGoogle Scholar
  142. 142.
    Ponthus J, Riches E (2013) Int. J. Ion Mobil. Spec. 16:95CrossRefGoogle Scholar
  143. 143.
    Wyttenbach T, Helden GV, Batka Jr JJ, Carlat D, Bowers MT (1997) J Am Soc Mass Spectrom 8:275Google Scholar
  144. 144.
    Shvartsburg AA, Jarrold MF (1996) Chem Phys Lett 261:86CrossRefGoogle Scholar
  145. 145.
    Shvartsburg AA, Schatz GC, Jarrold MF (1998) J Chem Phys 108:2416CrossRefGoogle Scholar
  146. 146.
  147. 147.
    Bleiholder C, Wyttenbach T, Bowers MT (2011) Int J Mass Spectrom 308:1CrossRefGoogle Scholar
  148. 148.
  149. 149.
    Williams VM, Kong JR, Ko BJ, Mantri Y, Brodbelt JS, Baik M-H, Krische MJ (2009) J Am Chem Soc 131:16054CrossRefGoogle Scholar
  150. 150.
    Gellrich U, Meißner A, Steffani A, Kähny M, Drexler H-J, Heller D, Plattner DA, Breit B (2013) J Am Chem Soc 136:1097Google Scholar
  151. 151.
    Ducháčková L, Roithová J, Milko P, Žabka J, Tsierkezos N, Schröder D (2011) Inorg Chem 50:771CrossRefGoogle Scholar
  152. 152.
    Tsybizova A, Rulíšek L, Schröder D, Rokob TA (2013) J Phys Chem A 117:1171CrossRefGoogle Scholar
  153. 153.
    Schröder D, Buděšínský M, Roithová J (2012) J Am Chem Soc 134:15897Google Scholar
  154. 154.
    Schrödinger E (1926) Phys Rev 28:1049Google Scholar
  155. 155.
    Roothaan CCJ (1951) Rev Mod Phys 23:69CrossRefGoogle Scholar
  156. 156.
    Hohenberg P, Kohn W (1964) Phys Rev 136:B864CrossRefGoogle Scholar
  157. 157.
    Kohn W, Sham LJ (1965) Phys Rev 140:A1133CrossRefGoogle Scholar
  158. 158.
    Becke AD (1993) J Chem Phys 98:5648CrossRefGoogle Scholar
  159. 159.
    Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785CrossRefGoogle Scholar
  160. 160.
    Brooks BR, Bruccoleri RE, Olafson BD, States DJ, Swaminathan S, Karplus M (1983) J Comput Chem 4:187CrossRefGoogle Scholar
  161. 161.
    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 117:5179CrossRefGoogle Scholar
  162. 162.
    Jorgensen WL, Tirado-Rives J (1988) J Am Chem Soc 110:1657CrossRefGoogle Scholar
  163. 163.
    Schuler LD, Daura X, van Gunsteren WF (2001) J Comput Chem 22:1205CrossRefGoogle Scholar
  164. 164.
    Warshel A, Levitt M (1976) J Mol Biol 103:227CrossRefGoogle Scholar
  165. 165.
    Dapprich S, Komáromi I, Byun KS, Morokuma K, Frisch MJJ (1999) Mol Struc-Theochem 461–462:1CrossRefGoogle Scholar
  166. 166.
    Senn HM, Thiel W (2007) Curr Opin Chem Biol 11:182CrossRefGoogle Scholar
  167. 167.
    Cheng G-J, Zhang X, Chung LW, Xu L, Wu Y-D (2015) J Am Chem Soc 137:1706CrossRefGoogle Scholar
  168. 168.
    Thiel W (2011) Angew Chem Int Ed 50:9216CrossRefGoogle Scholar
  169. 169.
    Thiel W (2014) Angew Chem Int Ed 53:8605CrossRefGoogle Scholar
  170. 170.
    Cheong PH-Y, Legault CY, Um JM, Çelebi-Ölçüm N, Houk KN (2011) Chem Rev 111:5042CrossRefGoogle Scholar
  171. 171.
    Houk KN (2014) Chem Soc Rev 43:4905CrossRefGoogle Scholar
  172. 172.
    Tsang ASK, Sanhueza IA, Schoenebeck F (2014) Chem –Eur J 20:16432Google Scholar
  173. 173.
    Ditchfield R, Hehre WJ, Pople JA (1971) J Chem Phys 54:724CrossRefGoogle Scholar
  174. 174.
    Wheeler SE, Moran A, Pieniazek SN, Houk KN (2009) J Phys Chem A 113:10376CrossRefGoogle Scholar
  175. 175.
    Schreiner PR (2007) Angew Chem Int Ed 46:4217CrossRefGoogle Scholar
  176. 176.
    Schwabe T, Grimme S (2008) Acc Chem Res 41:569CrossRefGoogle Scholar
  177. 177.
    Grimme S (2006) J Comput Chem 27:1787CrossRefGoogle Scholar
  178. 178.
    Zhao Y, Schultz NE, Truhlar DG (2005) J Chem Phys 123:161103CrossRefGoogle Scholar
  179. 179.
    Zhao Y, Schultz NE, Truhlar DG (2006) J Chem Theory Comput 2:364CrossRefGoogle Scholar
  180. 180.
    Zhao Y, Truhlar D (2008) Theor Chem Acc 120:215CrossRefGoogle Scholar
  181. 181.
    Ahlquist MSG, Norrby P-O (2011) Angew Chem Int Ed 50:11794CrossRefGoogle Scholar

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© Springer Nature Singapore Pte Ltd. 2017

Authors and Affiliations

  1. 1.Laboratory of Computational Chemistry and Drug Design and Laboratory of Chemical GenomicsPeking University Shenzhen Graduate SchoolShenzhenChina

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