References
- S. Kobayashi, Pure Appl. Chem. 85, 1089–1101 (2013). doi: 10.1351/PAC-CON-12-10-11
- W.H. Robertson and M.A. Johnson, Annu. Rev. Phys. Chem. 54, 173–213 (2003). doi: 10.1146/annurev.physchem.54.011002.103801
- J.R. Roscioli, E.G. Diken, M.A. Johnson, S. Horvath and A.B. McCoy, J. Phys. Chem. A 110, 4943–4952 (2006). doi: 10.1021/jp056022v
- A. Likholyot, J.K. Hovey and T.M. Seward, Geochim. Cosmochim. Acta 69, 2949–2958 (2005). doi: 10.1016/j.gca.2004.12.014
- S. Koizumi, H. Yasumatsu, S. Otani and T. Kondow, J. Chem. Phys. 121, 4833–4838 (2004). doi: 10.1063/1.1778378
- I.A. Wojciechowski, U. Kutliev, S. Sun, C. Szakal, N. Winograd and B.J. Garrison, Appl. Surf. Sci.231-232, 72–77 (2004). doi: 10.1016/j.apsusc.2004.03.036
- S. Chakrabarty and E.R. Williams, Phys. Chem. Chem. Phys. 18, 25483 (2016). doi: 10.1039/C6CP05033F
- R. Shi, P. Wang, L. Tang, X. Huang, Y. Chen, Y. Su and J. Zhao, J. Phys. Chem. A 122, 3413–3422 (2018). doi: 10.1021/acs.jpca.7b08872
- J. Kim, H.M. Lee, S.B. Suh, D. Majumdar and K.S. Kim, J. Chem. Phys. 113, 5259–5272 (2000). doi: 10.1063/1.1290016
- O. Dolgounitcheva, V.G. Zakrzewski and J.V. Ortiz, J. Chem. Phys. 138, 164317 (2013). doi: 10.1063/1.4802251
- W.H. Hynes and J.T. Thompson, J. Am. Chem. Soc. 122, 6278–6286 (2000). doi: 10.1021/ja993058q
- R. Ayala, J.M. Martínez, R.R. Pappalardo and E.S. Marcos, J. Chem. Phys. 119, 9538–9548 (2003). doi: 10.1063/1.1615764
- R. Ayala, J.M. Martínez, R.R. Pappalardo and E.S. Marcos, J. Chem. Phys. 121, 7269–7275 (2004). doi: 10.1063/1.1788660
- P. Bajaj, A.W. Götz and F. Paesani, J. Chem. Theory Comput. 12, 2698–2705 (2016). doi: 10.1021/acs.jctc.6b00302
- P.E. Videla, P.J. Rossky and D. Laria, J. Phys. Chem. B 119, 11783–11790 (2015). doi: 10.1021/acs.jpcb.5b05561
- P.E. Videla, P.J. Rossky and D. Laria, J. Chem. Phys. 148, 102306 (2018).
- J. Gao, Acc. Chem. Res. 29, 298–305 (1996). doi: 10.1021/ar950140r
- C.J. Fennell and K.A. Dill, J. Stat. Phys. 145, 209–226 (2011). doi: 10.1007/s10955-011-0232-9
- A.K.H. Weiss and T.S. Hofer, RCS Adv. 3, 1606–1635 (2013).
- J. Tomasi, B. Mennucci and R. Cammi, Chem. Rev. 105, 2999–3094 (2005). doi: 10.1021/cr9904009
- F. Lipparini and B. Mennucci, J. Chem. Phys. 144, 160901 (2016). doi: 10.1063/1.4947236
- A.A. Howard, G.S. Tschumper and N.I. Hammer, J. Phys. Chem. A 114, 6803–6810 (2010). doi: 10.1021/jp101267w
- U.N. Morzan, D.J.A. de Armiño, O.N. Foglia, F. Ramírez, M.C.G. Lebrero, D.A. Scherlis and D.A. Estrin, Chem. Rev. 118, 4071–4113 (2018). doi: 10.1021/acs.chemrev.8b00026
- M. Svensson, S. Humbel, R.D.J. Froese, T. Matsubara, S. Sieber and K. Morokuma, J. Phys. Chem.100, 19357–19363 (1996). doi: 10.1021/jp962071j
- L.W. Chung, W.M.C. Sameera, R. Ramozzi, A.J. Page, M. Hatanaka, G.P. Petrova, T.V. Harris, X. Li, Z. Ke, F. Liu, H.-B. Li, L. Ding and K. Morokuma, Chem. Rev. 115, 5678–5796 (2015). doi: 10.1021/cr5004419
- C. Chiappe and C.S. Pomelli, Phys. Chem. Chem. Phys. 15, 412–423 (2013). doi: 10.1039/C2CP43074F
- H.M. Senn and W. Thiel, Angew. Chem. Int. Ed. 48, 1198–1229 (2009). doi: 10.1002/anie.200802019
- M. Orozco and F.J. Luque, Chem. Rev. 100, 4187–4226 (2000). doi: 10.1021/cr990052a
- M.S. Gordon, D.G. Fedorov, S.R. Pruitt and L.V. Slipchenko, Chem. Rev. 112, 632–672 (2012). doi: 10.1021/cr200093j
- R.M. Richard and J.M. Herbert, J. Chem. Phys. 137, 064113 (2012). doi: 10.1063/1.4742816
- M.A. Collins and R.P.A. Bettens, Chem. Rev. 115, 5607–5642 (2015). doi: 10.1021/cr500455b
- G.R. Medders and F. Paesani, J. Chem. Theory Comput. 11, 1145–1154 (2015). doi: 10.1021/ct501131j
- J.D. Hartman and G.J.O. Beran, J. Chem. Theory Comput. 10, 4862–4872 (2014). doi: 10.1021/ct500749h
- J.D. Hartman, R.A. Kudla, G.M. Day, L.J. Mueller and G.J.O. Beran, Phys. Chem. Chem. Phys. 18, 21686–21709 (2016). doi: 10.1039/C6CP01831A
- T.J. Mach and T.D. Crawford, Theor. Chem. Acc. 133, 1449 (2014). doi: 10.1007/s00214-014-1449-x
- V. Babin, G.R. Medders and F. Paesani, J. Phys. Chem. Lett. 3, 3765–3769 (2012). doi: 10.1021/jz3017733
- V. Babin, C. Leforestier and F. Paesani, J. Chem. Theory Comput. 9, 5395–5403 (2013). doi: 10.1021/ct400863t
- G.R. Medders, V. Babin and F. Paesani, J. Chem. Theory Comput. 9, 1103–1114 (2013). doi: 10.1021/ct300913g
- G.A. Cisneros, K.T. Wikfeldt, L. Ojamäe, J. Lu, Y. Xu, H. Torabifard, A.P. Bartók, G. Csányi, V. Molinero and F. Paesani, Chem. Rev. 116, 7501–7528 (2016). doi: 10.1021/acs.chemrev.5b00644
- P. Bajaj, X.-G. Wang, T. Carrington Jr. and F. Paesani, J. Chem. Phys. 148, 102321 (2018). doi: 10.1063/1.5005540
- V. Sundararaghavan and N. Zabaras, Phys. Rev. B 77, 064101 (2008). doi: 10.1103/PhysRevB.77.064101
- R.M. Richard, K.U. Lao and J.M. Herbert, J. Chem. Phys. 141, 014108 (2014). doi: 10.1063/1.4885846
- K.U. Lao, K.-Y. Liu, R.M. Richard and J.M. Herbert, J. Chem. Phys. 144, 164105 (2016). doi: 10.1063/1.4947087
- K.-Y. Liu and J.M. Herbert, Chem. Rev. 147, 161729 (2017).
- R.M. Richard, B.W. Bakr and C.D. Sherrill, J. Chem. Theory Comput. 14, 2386–2400 (2018). doi: 10.1021/acs.jctc.7b01232
- C.K. Egan and F. Paesani, J. Chem. Theory Comput. 14, 1982–1997 (2018). doi: 10.1021/acs.jctc.7b01273
- N.J. Mayhall and K. Raghavachari, J. Chem. Theory Comput. 7, 1336–1343 (2011). doi: 10.1021/ct200033b
- K.V.J. Jose and K. Raghavachari, J. Chem. Theory Comput. 11, 950–961 (2015). doi: 10.1021/ct501026m
- W. Guo, A. Wu and X. Xu, Chem. Phys. Lett. 498, 203–208 (2010). doi: 10.1016/j.cplett.2010.08.033
- B.W. Hopkins and G.S. Tschumper, J. Comput. Chem. 24, 1563–1568 (2003). doi: 10.1002/jcc.10319
- G.S. Tschumper, Chem. Phys. Lett. 427, 185–191 (2006). doi: 10.1016/j.cplett.2006.06.021
- D.M. Bates, J.R. Smith, T. Janowski and G.S. Tschumper, J. Chem. Phys. 135, 044123 (2011). doi: 10.1063/1.3609922
- D.M. Bates, J.R. Smith and G.S. Tschumper, J. Chem. Theory Comput. 7, 2753–2760 (2011). doi: 10.1021/ct200176t
- A.M. Elsohly, C.L. Shaw, M.E. Guice, B.D. Smith and G.S. Tschumper, Mol. Phys. 105, 2777–2782 (2007). doi: 10.1080/00268970701633126
- J.C. Howard and G.S. Tschumper, J. Chem. Phys. 139, 184113 (2013). doi: 10.1063/1.4829463
- G.S. Tschumper, T.L. Ellington and S.N. Johnson, in Chapter Two – Dissociation in Binary Acid/Base Clusters: An Examination of Inconsistencies Introduced Into the Many-Body Expansion by Naïve Fragmentation Schemes, edited by D.A. Dixon, Annual Reports in Computational Chemistry, Vol. 13 (Elsevier, 2017), pp 93–115.
- T. Vreven and K. Morokuma, J. Comput. Chem. 21, 1419–1432 (2000). doi: 10.1002/1096-987X(200012)21:16<1419::AID-JCC1>3.0.CO;2-C
- S.S. Xantheas, J. Chem. Phys. 100, 7523–7534 (1994). doi: 10.1063/1.466846
- S.S. Xantheas, Chem. Phys. 258, 225–231 (2000). doi: 10.1016/S0301-0104(00)00189-0
- A. Hermann, R.P. Krawczyk, M. Lein, P. Schwerdtfeger, I.P. Hamilton and J.J.P. Stewart, Phys. Rev. A 76, 013202 (2007). doi: 10.1103/PhysRevA.76.013202
- R.J. Bartlett, WIREs Comput. Mol. Sci. 2, 126–138 (2012). doi: 10.1002/wcms.76
- K. Raghavachari, G.W. Trucks, J.A. Pople and M. Head-Gordon, Chem. Phys. Lett. 157, 479–483 (1989). doi: 10.1016/S0009-2614(89)87395-6
- J.F. Stanton, J. Gauss, M.E. Harding and P.G. Szalay, CFOUR, Coupled-Cluster techniques for Computational Chemistry. with contributions from A.A. Auer and R.J. Bartlett and U. Benedikt and C. Berger and D.E. Bernholdt and Y.J. Bomble and L. Cheng and O. Christiansen and M. Heckert and O. Heun and C. Huber and T.-C. Jagau and D. Jonsson and J. Jusélius and K. Klein and W.J. Lauderdale and D.A. Matthews and T. Metzroth and L.A. Mück and D.P. O'Neill and D.R. Price and E. Prochnow and K. Ruud and F. Schiffmann and W. Schwalbach and S. Stopkowicz and A. Tajti and J. Vázquez and F. Wang and J.D. Watts and the integral packages MOLECULE (J. Almlöf and P.R. Taylor) and PROPS (P.R. Taylor) and ABACUS (T. Helgaker and H.J. Aa. Jensen and P. Jørgensen and J. Olsen) and ECP routines by A. V. Mitin and C. van Wüllen, For the current version see http://www.cfour.de.
- C. Møller and M.S. Plesset, Phys. Rev. 46, 618–622 (1934). doi: 10.1103/PhysRev.46.618
- M.J. Frisch et al., Gaussian09 Revision D.01 (Gaussian Inc., Wallingford, CT, 2009).
- T.H. Dunning, J. Chem. Phys. 90, 1007 (1989). doi: 10.1063/1.456153
- R.A. Kendall, T.H. Dunning and R.J. Harrison, J. Chem. Phys. 96, 6796–6806 (1992). doi: 10.1063/1.462569
- A.K. Wilson, D.E. Woon, K.A. Peterson and T.H. Dunning, J. Chem. Phys. 110, 7667–7676 (1999). doi: 10.1063/1.478678
- T.H. Dunning, K.A. Peterson and A.K. Wilson, J. Chem. Phys. 114, 9244 (2001). doi: 10.1063/1.1367373
- K.A. Peterson, B.C. Shepler, D. Figgen and H. Stoll, J. Phys. Chem. A 110, 13877–13883 (2006). doi: 10.1021/jp065887l