References
- K.M. Dawood and K. Nomura, Adv. Synth. Catal. 363, 1970 (2021).
- J.A. Song, G.I. Peterson, K.T. Bang, T.S. Ahmed, J.C. Sung, R.H. Grubbs and T.L. Choi, J. Am. Chem. Soc. 142, 10438 (2020).
- X. Hou and K. Nomura, J. Am. Chem. Soc. 137, 4662 (2015).
- G.K. Gransbury, B.N. Livesay, J.T. Janetzki, M.A. Hay, R.W. Gable, M.P. Shores, A. Starikova and C. Boskovic, J. Am. Chem. Soc. 142, 10692 (2020).
- E. Haviv, B. Chen, R. Carmieli, L. Houben, H. Cohen, G. Leitus, L. Avram and R. Neumann, J. Am. Chem. Soc. 142, 14504 (2020).
- M. Atzori, F. Santanni, I. Breslavetz, K. Paillot, A. Caneschi, G.L.J.A. Rikken, R. Sessoli and C. Train, J. Am. Chem. Soc. 142, 13908 (2020).
- K. Thakar and S. Lodha, Mater. Res. Express. 7, 014002 (2020).
- M. Roemelt and D.A. Pantazis, Adv. Theory Simulat. 2, 1800201 (2019).
- D. Süß, S.E. Huber and A. Mauracher, J. Chem. Phys. 152, 114104 (2020).
- N.M.S. Almeida, I.R. Ariyarathna and E. Miliordos, J. Phys. Chem. A. 123, 9336 (2019).
- L. Li and D.S. Sholl, ACS Catal. 5, 5174 (2015).
- S. Pellizzeri, M. Barona, V. Bernales, P. Miró, P. Liao, L. Gagliardi, R.Q. Snurr and R.B. Getman, Catal. Today. 312, 149 (2018).
- D.J. Durand and N. Fey, Chem. Rev. 119, 6561 (2019).
- B. Ruscic, R.E. Pinzon, M.L. Morton, G. Von Laszevski, S.J. Bittner, S.G. Nijsure, K.A. Amin, M. Minkoff and A.F. Wagner, J. Phys. Chem. A. 108, 9979 (2004).
- B. Ruscic, J. Phys. Chem. A. 119, 7810 (2015).
- A. Tajti, P.G. Szalay, A.G. Császár, M. Kállay, J. Gauss, E.F. Valeev, B.A. Flowers, J. Vázquez and J.F. Stanton, J. Chem. Phys. 121, 11599 (2004).
- Y.J. Bomble, J. Vázquez, M. Kállay, C. Michauk, P.G. Szalay, A.G. Császár, J. Gauss and J.F. Stanton, J. Chem. Phys. 125, 064108 (2006).
- M.E. Harding, J. Vázquez, B. Ruscic, A.K. Wilson, J. Gauss and J.F. Stanton, J. Chem. Phys. 128, 114111 (2008).
- J.H. Thorpe, C.A. Lopez, T.L. Nguyen, J.H. Baraban, D.H. Bross, B. Ruscic and J.F. Stanton, J. Chem. Phys. 150, 224102 (2019).
- A. Karton, E. Rabinovich, J.M.L. Martin and B. Ruscic, J. Chem. Phys. 125, 144108 (2006).
- D. Feller, J. Chem. Phys. 147, 034103 (2017).
- D. Feller, J. Chem. Phys. 138 (2013).
- D. Feller, K.A. Peterson and B. Ruscic, Theor. Chem. Acc. 133, 1 (2014).
- A. Karton, P.R. Taylor and J.M.L. Martin, J. Chem. Phys. 127, 064104 (2007).
- L.A. Curtiss, K. Raghavachari, P.C. Redfern, V. Rassolov and J.A. Pople, J. Chem. Phys. 109, 7764 (1998).
- L.A. Curtiss, P.C. Redfern and K. Raghavachari, J. Chem. Phys. 126, 084108 (2007).
- L.A. Curtiss, K. Raghavachari, P.C. Redfern and J.A. Pople, J. Chem. Phys. 106, 1063 (1997).
- N.J. DeYonker, T.R. Cundari and A.K. Wilson, J. Chem. Phys. 124, 114104 (2006).
- N.J. DeYonker, T. Grimes, S. Yockel, A. Dinescu, B. Mintz, T.R. Cundari and A.K. Wilson, J. Chem. Phys. 125, 104111 (2006).
- N.J. DeYonker, D.S. Ho, A.K. Wilson and T.R. Cundari, J. Phys. Chem. A. 111, 10776 (2007).
- A. Karton, N. Sylvetsky and J.M.L. Martin, J. Comput. Chem. 38, 2063 (2017).
- P. Patel and A.K. Wilson, J. Comput. Chem. 41, 800 (2020).
- G.A. Oyedepo and A.K. Wilson, J. Phys. Chem. A. 114, 8806 (2010).
- B. Mintz, T.G. Williams, L. Howard and A.K. Wilson, J. Chem. Phys. 130, 234104 (2009).
- S.A. Nedd, N.J. DeYonker, A.K. Wilson, P. Piecuch and M.S. Gordon, J. Chem. Phys. 136, 144109 (2012).
- Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016).
- K.S. Thanthiriwatte, M. Vasiliu, S.R. Battey, Q. Lu, K.A. Peterson, L. Andrews and D.A. Dixon, J. Phys. Chem. A. 119, 5790 (2015).
- L. Cheng, J. Gauss, B. Ruscic, P.B. Armentrout and J.F. Stanton, J. Chem. Theory Comput. 13, 1044 (2017).
- Z. Fang, M. Vasiliu, K.A. Peterson and D.A. Dixon, J. Chem. Theory Comput. 13, 1057 (2017).
- M. Vasiliu, K.A. Peterson and D.A. Dixon, J. Phys. Chem. A. 124, 6913 (2020).
- D.H. Bross, J.G. Hill, H.J. Werner and K.A. Peterson, J. Chem. Phys. 139, 094302 (2013).
- W. Jiang, N.J. Deyonker, J.J. Determan and A.K. Wilson, J. Phys. Chem. A. 116, 870 (2012).
- N.J. DeYonker, K.A. Peterson, G. Steyl, A.K. Wilson and T.R. Cundari, J. Phys. Chem. A. 111, 11269 (2007).
- M.L. Laury, N.J. Deyonker, W. Jiang and A.K. Wilson, J. Chem. Phys. 135, 214103 (2011).
- S.E. Wheeler, K.N. Houk, P.V.R. Schleyer and W.D. Allen, J. Am. Chem. Soc. 131, 2547 (2009).
- F.J. Guzman and J. Bozzelli, J. Phys. Chem. A. 123, 4452 (2019).
- M.D. Morse, Acc. Chem. Res. 52, 119 (2019).
- B. Simard, M.A. Lebeault-Dorget, A. Marijnissen and J.J. Ter Meulen, J. Chem. Phys. 108, 9668 (1998).
- A. Sevy, J.J. Sorensen, T.D. Persinger, J.A. Franchina, E.L. Johnson and M.D. Morse, J. Chem. Phys. 147, 084301 (2017).
- C.S. Lam, K.C. Lau and C.Y. Ng, J. Phys. Chem. A. 123, 7454 (2019).
- H. Huang, Z. Luo, Y.C. Chang, K. Lau and C.Y. Ng, Chin J. Chem. Phys. 26, 669 (2013).
- P.B. Armentrout, Y.C. Chang and C.Y. Ng, J. Phys. Chem. A. 124, 5306 (2020).
- A.S. Gentleman, A. Iskra, H. Köckert and S.R. MacKenzie, Phys. Chem. Chem. Phys. 21, 15560 (2019).
- W.S. Hopkins, S.M. Hamilton, P.D. McNaughter and S.R. Mackenzie, Chem. Phys. Lett. 483, 10 (2009).
- G.A. Cooper, A.S. Gentleman, A. Iskra and S.R. Mackenzie, J. Chem. Phys. 147, 013921 (2017).
- A. Sevy, D.M. Merriles, R.S. Wentz and M.D. Morse, J. Chem. Phys. 151, 024302 (2019).
- J.J. Sorensen, E. Tieu, C. Nielson, A. Sevy, K.H. Tomchak and M.D. Morse, J. Chem. Phys. 152, 194307 (2020).
- N.M.S. Almeida, R.G. McKinlay and M.J. Paterson, Chem. Phys. 446, 86 (2015).
- A. Karton, J. Chem. Phys. 149, 034102 (2018).
- A. Karton, Chem. Phys. Lett. 737, 136810 (2019).
- M.E. Harding, J. Vázquez, J. Gauss, J.F. Stanton and M. Kállay, J. Chem. Phys. 135, 044513 (2011).
- S. Li, J.M. Hennigan, D.A. Dixon and K.A. Peterson, J. Phys. Chem. A. 113, 7861 (2009).
- R. Feng, M. Vasiliu, K.A. Peterson and D.A. Dixon, J. Phys. Chem. A. 121, 1041 (2017).
- J.L. Bao, B.K. Welch, I.S. Ulusoy, X. Zhang, X. Xu, A.K. Wilson and D.G. Truhlar, J. Phys. Chem. A. 124, 9757 (2020).
- D.M. Merriles, C. Nielson, E. Tieu and M.D. Morse, J. Phys. Chem. A (2021).
- E.L. Johnson, Q.C. Davis and M.D. Morse, J. Chem. Phys. 144, 234306 (2016).
- A. Sevy, D.J. Matthew and M.D. Morse, J. Chem. Phys. 149, 044306 (2018).
- N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005).
- T.H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
- T.H. Dunning Jr, K.A. Peterson and A.K. Wilson, J. Chem. Phys. 114, 9244 (2001).
- D.E. Woon and T.H. Dunning Jr, J. Chem. Phys. 98, 1358 (1993).
- T. Helgaker, W. Klopper, H. Koch and J. Noga, J. Chem. Phys. 106, 9639 (1997).
- G. Jansen and B.A. Hess, Phys. Rev. A. 39, 6016 (1989).
- W.A. De Jong, R.J. Harrison and D.A. Dixon, J. Chem. Phys. 114, 48 (2001).
- P.J. Knowles and H.J. Werner, Chem. Phys. Lett. 115, 259 (1985).
- H.J. Werner and P.J. Knowles, J. Chem. Phys. 82, 5053 (1985).
- A. Berning, M. Schweizer, H. Werner, P.J. Knowles and P. Palmieri, Mol. Phys. 98, 1823 (2000).
- C.E. Moore, Natl. Bur. Stand. Ref. Data Ser., Natl. Bur. Stand. (1971).
- K.A. Peterson, D. Figgen, M. Dolg and H. Stoll, J. Chem. Phys. 126, 124101 (2007).
- P.J. Knowles, C. Hampel and H.J. Werner, J. Chem. Phys. 99, 5219 (1993).
- P. J Knowles, G. Knizia, F. R. Manby, M. Schutz, P. Celani, W. Gyorffy, 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. Koppl, 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. Pfluger, R. Pitzer, M. Reiher, T. Shiozaki, H. Stoll, A. J. STone, R. Tarroni, T. Thorsteinsson and M. Wang, MOLPRO Version 2015.1 a Package of ab Initio Programs 2015. see http://www.molpro.net.
- M. Kállay and P.R. Surján, J. Chem. Phys. 115, 2945 (2001).
- M. Kállay, P.R. Nagy, D. Mester, Z. Rolik, G. Samu, J. Csontos, J. Csóka, P.B. Szabó, L. Gyevi-Nagy, B. Hégely, I. Ladjánszki, L. Szegedy, B. Ladóczki, K. Petrov, M. Farkas, P.D. Mezei and Á Ganyecz, J. Chem. Phys. 152, 074107 (2020).
- A. Karton, S. Daon and J.M.L. Martin, Chem. Phys. Lett. 510, 165 (2011).
- T.J. Lee and P.R. Taylor, Int. J. Quantum Chem. 36, 199 (1989).
- T.J. Lee, J.E. Rice, G.E. Scuseria and H.F. Schaefer, Theor. Chim. Acta. 75, 81 (1989).
- C.L. Janssen and I.M.B. Nielsen, Chem. Phys. Lett. 290, 423 (1998).
- W. Jiang, N.J. Deyonker and A.K. Wilson, J. Chem. Theory Comput. 8, 460 (2012).
- T. Helgaker, T.A. Ruden, P. Jørgensen, J. Olsen and W. Klopper, J. Phys. Org. Chem., 913–933 (2004).
- T.A. Ruden, T. Helgaker, P. Jørgensen and J. Olsen, J. Chem. Phys. 121, 5874 (2004).
- J. Wang, S. Manivasagam and A.K. Wilson, J. Chem. Theory Comput. 11, 5865 (2015).