References
- P. Hobza and K. Müller-Dethlefs, Non-Covalent Interactions. Theory and Experiment (RSC, Cambridge, UK, 2010).
- A.M. Maharramov, K.T. Mahmudov, M.N. Kopylovich and A.J.L. Pombeiro, Non-Covalent Interactions in the Synthesis and Design of New Compounds (John Wiley & Sons, Hoboken, NJ, 2016).
- A. Otero de la Roza and G.A. DiLabio, Non-Covalent Interactions in Quantum Chemistry and Physics: Theory and Applications (Elsevier, Amsterdam, 2017).
- V. Barbier and O.R.P. David, Non-Covalent Interactions in Organocatalysis (Elsevier, Amsterdam, 2018).
- G.C. Pimentel and A.L. McClelland, The Hydrogen Bond (W.H. Freeman and Co., San Francisco, 1960).
- L. Pauling, The Nature of the Chemical Bond and the Structure of Molecules and Crystals; an Introduction to Modern Structural Chemistry (Cornell University Press, Ithaca, NY, 1960).
- T.S. Moore and T.F. Winmill, J. Chem. Soc. 101, 1635–1676 (1912). doi: 10.1039/CT9120101635
- W.L. Zou, X.L. Zhang, H.M. Dai, H. Yan, D. Cremer and E. Kraka, J. Organomet. Chem. 865, 114–127 (2018). doi: 10.1016/j.jorganchem.2018.02.014
- G. Cavallo, P. Metrangolo, R. Milani, T. Pilati, A. Priimagi, G. Resnati and G. Terraneo, Chem. Rev. 116, 2478–2601 (2016). doi: 10.1021/acs.chemrev.5b00484
- J.M. Dumas, H. Peurichard and M. Gomel, J. Chem. Res.-S, 54–55 (1978).
- T. Clark, M. Hennemann, J.S. Murray and P. Politzer, J. Mol. Model.. 13, 291–296 (2007). doi: 10.1007/s00894-006-0130-2
- V. Oliveira and D. Cremer, Chem. Phys. Lett. 681, 56–63 (2017). doi: 10.1016/j.cplett.2017.05.045
- R. Custelcean and J.E. Jackson, Chem. Rev. 101, 1963–1980 (2001). doi: 10.1021/cr000021b
- P. Sanz, O. Mó and M. Yáñez, Chem. Eur. J. 8, 3999–4007 (2002); b) P. Sanz, O. Mó and M. Yáñez, New J. Chem. 26, 1747–1752 (2002). doi: 10.1002/1521-3765(20020902)8:17<3999::AID-CHEM3999>3.0.CO;2-M
- W. Wang, B. Ji and Y. Zhang, J. Phys. Chem. A. 113, 8132–8135 (2009). doi: 10.1021/jp904128b
- A. Bauza, T.J. Mooibroek and A. Frontera, Angew. Chem.-Int. Edit. 52, 12317–12321 (2013). doi: 10.1002/anie.201306501
- I. Alkorta, G. Sanchez-Sanz, J. Elguero and J.E. Del Bene, J. Chem. Theory Comput. 8, 2320–2327 (2012). doi: 10.1021/ct300399y
- M. Yáñez, P. Sanz, O. Mó, I. Alkorta and J. Elguero, J. Chem. Theor. Comput. 5, 2763–2771 (2009). doi: 10.1021/ct900364y
- G. Frenking, S. Dapprich, K.F. Kohler, W. Koch and J.R. Collins, Mol. Phys. 89, 1245–1263 (1996). doi: 10.1080/00268979609482538
- M.R. Buchner, M. Muller and S.S. Rudel, Angew. Chem.-Int. Edit. 56, 1130–1134 (2017). doi: 10.1002/anie.201610956
- S.J. Grabowski, Chemphyschem. 19, 1830–1840 (2018). doi: 10.1002/cphc.201800274
- a) O. Mó, M. Yáñez, I. Alkorta and J. Elguero, J. Mol. Model. 19, 4139–4145 (2013); b) M. Yáñez, O. Mó, I. Alkorta and J. Elguero, Chem. Eur. J. 35, 11637–11643 (2013); c) O. Mó, M. Yáñez, I. Alkorta and J. Elguero, Mol. Phys. 112, 592–600 (2014). doi: 10.1007/s00894-012-1682-y
- M.M. Montero-Campillo, P. Sanz, O. Mó, M. Yáñez, I. Alkorta and J. Elguero, Phys. Chem. Chem. Phys. 20, 2413–2420 (2018). doi: 10.1039/C7CP07891A
- O. Brea, I. Alkorta, O. Mó, M. Yáñez, J. Elguero and I. Corral, Angew. Chem. Eng. Int. Ed. 55, 8736–8739 (2016). doi: 10.1002/anie.201603690
- O. Brea, O. Mó, M. Yáñez, I. Alkorta and J. Elguero, Chem. Commun. 52, 9656–9659 (2016). doi: 10.1039/C6CC04350J
- I. Alkorta, M.M. Montero-Campillo, J. Elguero, M. Yáñez and O. Mó, ChemPhysChem 19, 1068–1074 (2018). doi: 10.1002/cphc.201701240
- O. Brea, I. Corral, O. Mó, M. Yáñez, I. Alkorta and J. Elguero, Chem. Eur. J. 22, 18322–18325 (2016). doi: 10.1002/chem.201604325
- M.M. Montero-Campillo, I. Corral, O. Mó, M. Yáñez, I. Alkorta and J. Elguero, Phys. Chem. Chem. Phys. 19, 23052–23059 (2017). doi: 10.1039/C7CP03664G
- O. Brea, O. Mó, M. Yáñez, M.M. Montero-Campillo, I. Alkorta and J. Elguero, J. Mol. Mod. 24, 16 (2018). doi: 10.1007/s00894-017-3551-1
- Q. Bian, Z.H. Yang, Y. Wang, C. Cao and S.L. Pan, Sci. Rep. 6, 9 (2016). doi: 10.1038/s41598-016-0002-7
- B.L. Scott, T.M. McCleskey, A. Chaudhary, E. Hong-Geller and S. Gnanakaran, Chem. Comm 25, 2837–2847 (2008). doi: 10.1039/b718746g
- Q.N. Zhang, M.H. Chen, M.F. Zhou, D.M. Andrada and G. Frenking, J. Phys. Chem. A. 119, 2543–2552 (2015). doi: 10.1021/jp509006u
- R. Saha, S. Pan, G. Merino and P.K. Chattaraj, J. Phys. Chem. A. 119, 6746–6752 (2015). doi: 10.1021/acs.jpca.5b03888
- S. Pan, M. Ghara, S. Ghosh and P.K. Chattaraj, RSC Adv. 6, 92786–92794 (2016). doi: 10.1039/C6RA20232B
- W.J. Yu, X. Liu, B. Xu, X.P. Xing and X.F. Wang, J. Phys. Chem. A. 120, 8590–8598 (2016). doi: 10.1021/acs.jpca.6b08799
- I. Alkorta, M.M. Montero-Campillo, J. Elguero, M. Yáñez and O. Mó, Dalton Trans., 2018. doi:10.1039/C8DT01679H.
- E. Durgun, S. Ciraci, W. Zhou and T. Yildirim, Phys. Rev. Lett. 97, 226102 (2006). doi: 10.1103/PhysRevLett.97.226102
- A. Chakraborty, S. Giri and P.K. Chattaraj, Struct. Chem. 22, 823–837 (2011). doi: 10.1007/s11224-011-9754-7
- E. Tsivion, J.R. Long and M. Head-Gordon, J. Am. Chem. Soc. 136, 17827–17835 (2014). doi: 10.1021/ja5101323
- E. Tsivion, S.P. Veccham and M. Head-Gordon, Chemphyschem 18, 184–188 (2017). doi: 10.1002/cphc.201601215
- W.-X. Lim, A.W. Thornton, A.J. Hill, B.J. Cox, J.M. Hill, M.R. Hill, Langmuir. 2013, 29, 8524-8533. doi: 10.1021/la401446s
- Z.R. Herm, J.A. Swisher, B. Smit, R. Krishna, J. R. Long, J. Am. Chem. Soc. 2011, 133, 5664-5667. doi: 10.1021/ja111411q
- K. Sumida, M. R. Hill, S. Horike, A. Dailly, J. R. Long, J. Am. Chem. Soc. 2009, 131, 15120-15121. doi: 10.1021/ja9072707
- Nanomaterials in Energy Devices. Energy Storage Derivatives and Emerging Solar Cells (CRC Press, Boca Raton FL, 2018).
- N.N. Greenwood and A. Earnshaw, Chemistry of the Elements (Pergamon Press, Oxford, 1984).
- A. Vegas, J.F. Liebman and H.D.B. Jenkins, Acta Crystallogr. B. 68, 511–527 (2012). doi: 10.1107/S0108768112030686
- C. Møller and M.S. Plesset, Phys. Rev. 46, 618–622 (1934). doi: 10.1103/PhysRev.46.618
- T.H. Dunning, J. Chem. Phys. 90, 1007–1023 (1989). doi: 10.1063/1.456153
- L.A. Curtiss, P.C. Redfern and K. Raghavachari, J. Chem. Phys. 126, 12 (2007). doi: 10.1063/1.2436888
- M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, G.A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A.V. Marenich, J. Bloino, B.G. Janesko, R. Gomperts, B. Mennucci, H.P. Hratchian, J.V. Ortiz, A.F. Izmaylov, J.L. Sonnenberg, W.F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V.G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J.A. Montgomery Jr, J.E. Peralta, F. Ogliaro, M.J. Bearpark, J.J. Heyd, E.N. Brothers, K.N. Kudin, V.N. Staroverov, T.A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A.P. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, J.M. Millam, M. Klene, C. Adamo, R. Cammi, J.W. Ochterski, R.L. Martin, K. Morokuma, O. Farkas, J.B. Foresman and D.J. Fox, Wallingford, CT, 2016.
- B. Jeziorski, R. Moszynski and K. Szalewicz, Chem. Rev. 94, 1887–1930 (1994). doi: 10.1021/cr00031a008
- A.J. Misquitta, R. Podeszwa, B. Jeziorski and K. Szalewicz, J. Chem. Phys. 123, 214103 (2005). doi: 10.1063/1.2135288
- C. Adamo and V. Barone, J. Chem. Phys. 110, 6158–6170 (1999). doi: 10.1063/1.478522
- H.-J. Werner, P.J. Knowles, G. Knizia, F.R. Manby, M. Schütz, P. Celani, W. Györffy, D. Kats, T. Korona, R. Lindh, A. Mitrushenkov, G. Rauhut, K.R. Shamasundar, T.B. Adler, R.D. Amos, A. Bernhardsson, A. Berning, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, E. Goll, C. Hampel, A. Hesselmann, G. Hetzer, T. Hrenar, G. Jansen, C. Köppl, Y. Liu, A.W. Lloyd, R.A. Mata, A.J. May, S.J. McNicholas, W. Meyer, M.E. Mura, A. Nicklass, D.P. O'Neill, P. Palmieri, D. Peng, K. Pflüger, R. Pitzer, M. Reiher, T. Shiozaki, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson and M. Wang, Cardiff, UK, 2010.
- R.F.W. Bader, Atoms in Molecules. A Quantum Theory (Clarendon Press, Oxford, 1990).
- C.F. Matta and R.J. Boyd, The Quantum Theory of Atoms in Molecules (Wiley-VCH, Weinheim, 2007).
- T.A. Keith, 11.10.16 ed., TK Gristmill Software, Overland Park KS, USA, 2011 Version p. (aim.tkgristmill.com ).
- T. Sagara, J. Klassen and E. Ganz, J. Chem. Phys. 121, 12543–12547 (2004). doi: 10.1063/1.1809608
- S.J. Grabowski, I. Alkorta and J. Elguero, J. Phys. Chem. A. 117, 3243–3251 (2013). doi: 10.1021/jp4016933