References
- S.-H. Lee, J. Chem. Phys. 129 (19), 194304 (2008). doi:https://doi.org/10.1063/1.3020761
- M.-H. Chao, P.-Y. Tsai and K.-C. Lin, Phys. Chem. Chem. Phys. 13 (15), 7154 (2011). doi:https://doi.org/10.1039/C0CP02710C
- P.-Y. Tsai, M.-H. Chao, T. Kasai, K.-C. Lin, A. Lombardi, F. Palazzetti and V. Aquilanti, Phys. Chem. Chem. Phys. 16 (7), 2854–2865 (2014). doi:https://doi.org/10.1039/C3CP53792G
- M. Nakamura, P.-Y. Tsai, T. Kasai, K.-C. Lin, F. Palazzetti, A. Lombardi and V. Aquilanti, Faraday Discuss. 177 (0), 77–98 (2015). doi:https://doi.org/10.1039/C4FD00174E
- K.-C. Lin, Phys. Chem. Chem. Phys. 18 (10), 6980–6995 (2016). doi:https://doi.org/10.1039/C5CP07012K
- A. Lombardi, F. Palazzetti, V. Aquilanti, H.-K. Li, P.-Y. Tsai, T. Kasai and K.-C. Lin, J. Phys. Chem. A. 120 (27), 5155–5162 (2016). doi:https://doi.org/10.1021/acs.jpca.6b00723
- K.-C. Lin, P.-Y. Tsai, M.-H. Chao, M. Nakamura, T. Kasai, A. Lombardi, F. Palazzetti and V. Aquilanti, Int. Rev. Phys. Chem. 37 (2), 217–258 (2018). doi:https://doi.org/10.1080/0144235X.2018.1488951
- A.B. Stephansen, M.A.B. Larsen and T.I. Sølling, Phys. Chem. Chem. Phys. 18 (35), 24484–24497 (2016). doi:https://doi.org/10.1039/c6cp04046b
- L. Lanfri, Y.-L. Wang, T.V. Pham, N.T. Nguyen, M.B. Paci, M.C. Lin and Y.-P. Lee, J. Phys. Chem. A. 123 (29), 6130–6143 (2019). doi:https://doi.org/10.1021/acs.jpca.9b04129
- T. Kasai, D.-C. Che, M. Okada, P.-Y. Tsai, K.-C. Lin, F. Palazzetti and V. Aquilanti, Phys. Chem. Chem. Phys. 16 (21), 9776 (2014). doi:https://doi.org/10.1063/1.4938831
- G. Cui, F. Zhang and W. Fang, J. Chem. Phys. 132 (3), 034306 (2010). doi:https://doi.org/10.1063/1.3297892
- Y.-C. Chou, Chem. Phys. Lett. 506 (4), 152–155 (2011). doi:https://doi.org/10.1016/j.cplett.2011.03.023
- J.S. Francisco, J. Am. Chem. Soc. 125 (34), 10475–10480 (2003). doi:https://doi.org/10.1021/ja0117682
- A. Lombardi, F. Palazzetti, K.-C. Lin and P.Y. Tsai, in Computational Science and its Applications – ICCSA 2014 (Springer, Cham, 2014).
- F. Palazzetti and P.-Y. Tsai, J. Phys. Chem. A. 125 (5), 1198–1220 (2021). doi:https://doi.org/10.1021/acs.jpca.0c10464
- P.-Y. Tsai, J. Chem. Phys. 148 (23), 234101 (2018). doi:https://doi.org/10.1063/1.5030488
- G. de Wit, B.R. Heazlewood, M.S. Quinn, A.T. Maccarone, K. Nauta, S.A. Reid, M.J.T. Jordan and S.H. Kable, Faraday Discuss. 157 (0), 227 (2012). doi:https://doi.org/10.1039/C2FD20015E
- D. Townsend, S.A. Lahankar, S.K. Lee, S.D. Chambreau, A.G. Suits, X. Zhang, J. Rheinecker, L.B. Harding and J.M. Bowman, Science. 306 (1158), 5699 (2004). doi:https://doi.org/10.1126/science.1104386
- P.L. Houston and S.H. Kable, Proc. Natl. Acad. Sci. U.S.A. 103 (44), 16079 (2006). doi:https://doi.org/10.1073/pnas.0604441103
- V. Goncharov, N. Herath and A.G. Suits, J. Phys. Chem. A. 112 (39), 9423–9428 (2008). doi:https://doi.org/10.1021/jp802534r
- A.G. Suits, Acc. Chem. Res. 41 (7), 873–881 (2008). doi:https://doi.org/10.1021/ar8000734
- J.M. Bowman and B.C. Shepler, Annu. Rev. Phys. Chem. 62 (1), 531–553 (2011). doi:https://doi.org/10.1063/PT.3.1330
- J.M. Bowman, Mol. Phys. 112 (19), 2516–2528 (2014). doi:https://doi.org/10.1080/00268976.2014.897395
- J.M. Bowman and P.L. Houston, Chem. Soc. Rev. 46 (24), 7615–7624 (2017). doi:https://doi.org/10.1039/C7CS00578D
- A.G. Suits, Annu. Rev. Phys. Chem. 71 (1), 77–100 (2020). doi:https://doi.org/10.1146/annurev-physchem-050317-020929
- U. Lourderaj, R. Sun, S.C. Kohale, G.L. Barnes, W.A. de Jong, T.L. Windus and W.L. Hase, Comput. Phys. Commun. 185 (3), 1074–1080 (2014). doi:https://doi.org/10.1016/j.cpc.2013.11.011
- E. Aprà, E.J. Bylaska, W.A. de Jong, N. Govind, K. Kowalski, T.P. Straatsma, M. Valiev, H.J.J. van Dam, Y. Alexeev, J. Anchell, V. Anisimov, F.W. Aquino, R. Atta-Fynn, J. Autschbach, N.P. Bauman, J.C. Becca, D.E. Bernholdt, K. Bhaskaran-Nair, S. Bogatko, P. Borowski, J. Boschen, J. Brabec, A. Bruner, E. Cauët, Y. Chen, G.N. Chuev, C.J. Cramer, J. Daily, M.J.O. Deegan, T.H. DunningJr, M. Dupuis, K.G. Dyall, G.I. Fann, S.A. Fischer, A. Fonari, H. Früchtl, L. Gagliardi, J. Garza, N. Gawande, S. Ghosh, K. Glaesemann, A.W. Götz, J. Hammond, V. Helms, E.D. Hermes, K. Hirao, S. Hirata, M. Jacquelin, L. Jensen, B.G. Johnson, H. Jónsson, R.A. Kendall, M. Klemm, R. Kobayashi, V. Konkov, S. Krishnamoorthy, M. Krishnan, Z. Lin, R.D. Lins, R.J. Littlefield, A.J. Logsdail, K. Lopata, W. Ma, A.V. Marenich, J. Martin del Campo, D. Mejia-Rodriguez, J.E. Moore, J.M. Mullin, T. Nakajima, D.R. Nascimento, J.A. Nichols, P.J. Nichols, J. Nieplocha, A. Otero-de-la-Roza, B. Palmer, A. Panyala, T. Pirojsirikul, B. Peng, R. Peverati, J. Pittner, L. Pollack, R.M. Richard, P. Sadayappan, G.C. Schatz, W.A. Shelton, D.W. Silverstein, D.M.A. Smith, T.A. Soares, D. Song, M. Swart, H.L. Taylor, G.S. Thomas, V. Tipparaju, D.G. Truhlar, K. Tsemekhman, T. Van Voorhis, Á Vázquez-Mayagoitia, P. Verma, O. Villa, and A. Vishnu, J. Chem. Phys. 152 (18), 184102 (2020). doi:https://doi.org/10.1063/5.0004997
- W.L. Hase, in Encyclopedia of Computational Chemistry (John Wiley & Sons, New York, NY, 2002).
- L. Sun, K. Song and W.L. Hase, Science. 296 (5569), 875–878 (2002). doi:https://doi.org/10.1126/science.1068053
- G.H. Peslherbe, H. Wang and W.L. Hase, in Advances in Chemical Physics. (John Wiley & Sons, New York, NY, 2007). pp. 171–201. doi:https://doi.org/10.1126/science.1068053
- U. Lourderaj, K. Park and W.L. Hase, Int. Rev. Phys. Chem. 27 (3), 361–403 (2008). doi:https://doi.org/10.1080/01442350802045446
- X. Ma and W.L. Hase, Philos. Trans. R. Soc. London, Ser. A. 375 (2092), 20160204 (2017). doi:https://doi.org/10.1098/rsta.2016.0204
- S. Pratihar, X. Ma, Z. Homayoon, G.L. Barnes and W.L. Hase, J. Am. Chem. Soc. 139 (10), 3570–3590 (2017). doi:https://doi.org/10.1021/jacs.6b12017
- W.H. Miller, N.C. Handy and J.E. Adams, J. Chem. Phys. 72 (1), 99–112 (1980). doi:https://doi.org/10.1063/1.438959
- M. Page and J.W. McIver Jr., J. Chem. Phys. 88 (2), 922–935 (1988). doi:https://doi.org/10.1063/1.454172
- T. Taketsugu and M.S. Gordon, J. Chem. Phys. 104 (8), 2834–2840 (1996). doi:https://doi.org/10.1021/j100021a003
- E. Kraka, WIRES Comput Mol Sci. 1 (4), 531–556 (2011). doi:https://doi.org/10.1002/wcms.65
- L. Bonnet and J. Espinosa-Garcia, Phys. Chem. Chem. Phys. 19 (30), 20267–20270 (2017). doi:https://doi.org/10.1039/C7CP0-4091A
- L. Bonnet, J.C. Corchado and J. Espinosa-Garcia, C. R. Chimie. 19 (5), 571–578 (2016). doi:https://doi.org/10.1016/j.crci.2016.03.010
- R.D. van Zee, M. Frances Foltz and C. Bradley Moore, J. Chem. Phys. 99 (3), 1664–1673 (1993). doi:https://doi.org/10.1063/1.465335
- P.-Y. Tsai and K.-C. Lin, J. Phys. Chem. A. 119 (1), 29–38 (2015). doi:https://doi.org/10.1021/jp511000t
- E.E. Barnes and W.T. Simpson, J. Chem. Phys. 39 (3), 670–675 (1963). doi:https://doi.org/10.1063/1.1734305
- A.B. Rocha, A.S. Pimentel and C.E. Bielschowsky, J. Phys. Chem. A. 106 (1), 181–183 (2002). doi:https://doi.org/10.1021/jp012647r
- T.J. Butenhoff, K.L. Carleton and C. Bradley Moore, J. Chem. Phys. 92 (1), 377–393 (1990). doi:https://doi.org/10.1063/1.458-440
- Y. Chang, C. Minichino and W.H. Miller, J. Chem. Phys. 96 (6), 4341–4355 (1992). doi:https://doi.org/10.1063/1.462826
- P.-Y. Tsai and K.-C. Lin, Phys. Chem. Chem. Phys. 17 (29), 19592–19601 (2015). doi:https://doi.org/10.1039/C5CP03079J