[1] X Meng, J Guo, J Peng, J Chen, Z Wang, J R Shi, X Z Li, E G Wang, Y Jiang. Nat. Phys., 11, 235(2015).

[2] W Cleland, M Kreevoy. Science, 264, 1887(1994).

[3] T Sun, F H Lin, R L Campbell, J S Allingham, P L Davies. Science, 343, 795(2014).

[4] L C Ch’ng, A K Samanta, G Czakó, J M Bowman, H Reisler. J. Am. Chem. Soc., 134(2012).

[5] J Zhang, P Chen, B Yuan, W Ji, Z Cheng, X Qiu. Science, 342, 611(2013).

[6] T Kumagai, M Kaizu, S Hatta, H Okuyama, T Aruga, I Hamada, Y Morikawa. Phys. Rev. Lett., 100(2008).

[7] J Guo, J T Lü, Y Feng, J Chen, J Peng, Z Lin, X Meng, Z Wang, X Z Li, E G Wang, Y Jiang. Science, 352, 321(2016).

[8] C Zhou, X Li, Z Gong, C Jia, Y Lin, C Gu, G He, Y Zhong, J Yang, X Guo. Nat. Commun., 9, 807(2018).

[9] X Z Li, B Walker, A Michaelides. Proc. Natl. Acad. Sci. USA, 108, 6369(2011).

[10] M Ceriotti, J Cuny, M Parrinello, D E Manolopoulos. Proc. Natl. Acad. Sci. USA, 110(2013).

[11] E Arunan, D Mani. Faraday Discuss., 177, 51(2015).

[12] T Hiroto. J. Comput. Chem., 38, 1503(2017).

[13] J D Cruzan, L B Braly, K Liu, M G Brown, J G Loeser, R J Saykally. Science, 271, 59(1996).

[14] A Asensio, N Kobko, J J Dannenberg. J. Phys. Chem. A, 107, 6441(2003).

[15] G Louit, A Hocquet, M Ghomi, M Meyer, J Sühnel. J. Phys. Chem. Commun., 6, 1(2003).

[16] Y L Shi, Z Y Zhang, W R Jiang, R Wang, Z G Wang. J. Mol. Liq., 286(2019).

[17] G T Fraser. Int. Rev. Phys. Chem., 10, 189(1991).

[18] S Scheiner. Annu. Rev. Phys. Chem., 45, 23(1994).

[19] A Mukhopadhyay, W T S Cole, R J Saykally. Chem. Phys. Lett., 633, 13(2015).

[20] A Mukhopadhyay, S S Xantheas, R J Saykally. Chem. Phys. Lett., 700, 163(2018).

[21] J A Odutola, T R Dyke. J. Chem. Phys., 72, 5062(1980).

[22] W Klopper, J G C M van Duijneveldt-van de Rijdt, F B van Duijneveldt. Phys. Chem. Chem. Phys., 2, 2227(2000).

[23] J R Lane. J. Chem. Theory Comput., 9, 316(2013).

[24] M L Cowan, B D Bruner, N Huse, J R Dwyer, B Chugh, E T J Nibbering, T Elsaesser, R J D Miller. Nature, 434, 199(2005).

[25] K Ramasesha, L De Marco, A Mandal, A Tokmakoff. Nat. Chem., 5, 935(2013).

[26] R F W Bader. Atoms in Molecules: A Quantum Theory(1994).

[27] D Cremer, E Kraka. Croat. Chem. Acta, 57, 1259(1984).

[28] U Koch, P L A Popelier. J. Chem. Phys., 99, 9747(1995).

[29] E D Isaacs, A Shukla, P M Platzman, D R Hamann, B Barbiellini, C A Tulk. Phys. Rev. Lett., 82, 600(1999).

[30] I Rozas, I Alkorta, J Elguero. J. Am. Chem. Soc., 122(2000).

[31] S J Grabowski. Chem. Rev., 111, 2597(2011).

[32] H Elgabarty, R Z Khaliullin, T D Kühne. Nat. Commun., 6, 8318(2015).

[33] Z Zhang, D Li, W Jiang, Z Wang. Adv. Phys. X, 3(2018).

[34] Z Y Zhang, W R Jiang, B Wang, Y Q Yang, Z G Wang. Chin. Phys. B, 27(2018).

[35] B Jeziorski, M van Hemert. Mol. Phys., 31, 713(1976).

[36] H Umeyama, K Morokuma. J. Am. Chem. Soc., 99, 1316(1977).

[37] K Morokuma. Acc. Chem. Res., 10, 294(1977).

[38] S Rybak, B Jeziorski, K Szalewicz. J. Chem. Phys., 95, 6576(1991).

[39] Y Mo, J Gao, S D Peyerimhoff. J. Chem. Phys., 112, 5530(2000).

[40] R Z Khaliullin, A T Bell, M Head-Gordon. Chem. - Eur. J., 15, 851(2009).

[41] J Hoja, A F Sax, K Szalewicz. Chem. - Eur. J., 20, 2292(2014).

[42] B Wang, W Jiang, X Dai, Y Gao, Z Wang, R Q Zhang. Sci. Rep., 6(2016).

[43] M Tafipolsky. J. Phys. Chem. A, 120, 4550(2016).

[44] T Mitsui, M K Rose, E Fomin, D F Ogletree, M Salmeron. Science, 297, 1850(2002).

[45] V A Ranea, A Michaelides, R Ramírez, P L de Andres, J A Vergés, D A King. Phys. Rev. Lett., 92(2004).

[46] X Xu, W A Goddard. J. Phys. Chem. A, 108, 2305(2004).

[47] J Sun, R C Remsing, Y Zhang, Z Sun, A Ruzsinszky, H Peng, Z Yang, A Paul, U Waghmare, X Wu, M L Klein, J P Perdew. Nat. Chem., 8, 831(2016).

[48] C Møller, M S Plesset. Phys. Rev., 46, 618(1934).

[49] M Head-Gordon, J A Pople, M J Frisch. Chem. Phys. Lett., 153, 503(1988).

[50] P Sinha, S E Boesch, C Gu, R A Wheeler, A K Wilson. J. Phys. Chem. A, 108, 9213(2004).

[51] T Helgaker, E Uggerud, H J A Jensen. Chem. Phys. Lett., 173, 145(1990).

[52] J M Millam, V Bakken, W Chen, W L Hase, H B Schlegel. J. Chem. Phys., 111, 3800(1999).

[53] B Jeziorski, R Moszynski, K Szalewicz. Chem. Rev., 94, 1887(1994).

[54] A J Stone, A J Misquitta. Chem. Phys. Lett., 473, 201(2009).

[55] T M Parker, L A Burns, R M Parrish, A G Ryno, C D Sherrill. J. Chem. Phys., 140(2014).

[56] M J Frisch, G W Trucks, H B Schlegel et al(2009).

[57] R M Parrish, L A Burns, D G A Smith, A C Simmonett, A E DePrince, E G Hohenstein, U Bozkaya, A Y Sokolov, R Di Remigio, R M Richard, J F Gonthier, A M James, H R McAl-exander, A Kumar, M Saitow, X Wang, B P Pritchard, P Verma, H F Schaefer, K Patkowski, R A King, E F Valeev, F A Evangelista, J M Turney, T D Crawford, C D Sherrill. J. Chem. Theory Comput., 13, 3185(2017).

[58] T Lu, F Chen. J. Comput. Chem., 33, 580(2012).

[59] J Ceponkus, A Engdahl, P Uvdal, B Nelander. Chem. Phys. Lett., 581, 1(2013).

[60] W T S Cole, R S Fellers, M R Viant, C Leforestier, R J Saykally. J. Chem. Phys., 143(2015).

[61] G Czakó, A L Kaledin, J M Bowman. J. Chem. Phys., 132(2010).

[62] P Mori-Sánchez, A M Pendás, V Luaña. Phys. Rev. B, 63(2001).

[63] A Costales, M A Blanco, A Martín Pendás, P Mori-Sánchez, V Luaña. J. Phys. Chem. A, 108, 2794(2004).

[64] C Foroutan-Nejad, S Shahbazian, R Marek. Chem. - Eur. J., 20(2014).

[65] S Jenkins, I Morrison. Chem. Phys. Lett., 317, 97(2000).

[66] S J Grabowski, W A Sokalski, E Dyguda, J Leszczyńki. J. Phys. Chem. B, 110, 6444(2006).

[67] S J Grabowski. Hydrogen bonding-new insights(2006).

[68] M G Medvedev, I S Bushmarinov, J Sun, J P Perdew, K A Lyssenko. Science, 355, 49(2017).

[69] J G McDaniel, J R Schmidt. J. Phys. Chem. A, 117, 2053(2013).

[70] S F Boys, F Bernardi. Mol. Phys., 19, 553(1970).

[71] J K Gregory, D C Clary, K Liu, M G Brown, R J Saykally. Science, 275, 814(1997).

[72] I Skarmoutsos, M Masia, E Guardia. Chem. Phys. Lett., 648, 102(2016).

[73] K E Otto, Z Xue, P Zielke, M A T Suhm. Phys. Chem. Chem. Phys., 16, 9849(2014).