[Ago H, Ogawa Y, Tsuji M, Mizuno S, Hibino H (2012) J. Phys. Chem. Lett. 3(16): 2228—2236.]Search in Google Scholar
[Baby TT, Aravind SSJ, Arockiadoss T, Rakhi RB, Ramaprab hu S (2010) Sensors Actuators, B Chem. 145(1): 71—77.]Search in Google Scholar
[Balabanov NB, Peterson KA (2005) J. Chem. Phys. 123(6): 1—15.]Search in Google Scholar
[Balabanov NB, Peterson KA (2006) J. Chem. Phys. 125(7): 1—11.]Search in Google Scholar
[Bilić A, Reimers JR, Hush NS, Hoft RC, Ford MJ (2006) J. Chem. Theory Comput. 2(4): 1093—1105.]Search in Google Scholar
[Boys SF, Bernardi F (1970) Mol. Phys. 19(4): 553—566. Bučinský L, Biskupič S, Ilčin M, Lukeš V, Laurinc V (2011) J. Comput. Chem. 32: 356—367.]Search in Google Scholar
[Caputo R, Prascher BP, Staemmler V, Bagus PS, Wöll C (2007) J. Phys. Chem. A. 111(49): 12778—12784.]Search in Google Scholar
[Chan KT, Neaton JB, Cohen ML (2008) Phys. Rev. B — Condens. Matter Mater. Phys. 77(23): 1—12.]Search in Google Scholar
[Cho WJ, Cho Y, Min SK, Kim WY, Kim KS (2011) J. Am. Chem. Soc. 133(24): 9364—9369.]Search in Google Scholar
[Cho Y, Choi YC, Kim KS (2011) J. Phys. Chem. C. 115(13): 6019—6023.]Search in Google Scholar
[Douglas M, Kroll NM (1974) Ann. Phys. (N. Y.). 82(1): 89—155.]Search in Google Scholar
[Dunning TH (1989) J. Chem. Phys. 90(2): 1007—1023. Fdez Galván I, Vacher M, Alavi A, Angeli C, Aquilante F, Autschbach J, Bao JJ, Bokarev SI, Bogdanov NA, Carlson RK, Chibotaru LF, Creutzberg J, Dattani N, Delcey MG, Dong SS, Dreuw A, Freitag L, Frutos LM, Gagliardi L, Gendron F, Giussani A, González L, Grell G, Guo M, Hoyer CE, Johansson M, Keller S, Knecht S, Kovačević G, Källman E, Manni GLi, Lundberg M, Ma Y, Mai S, Malhado JP, Malmqvist PÅ, Marquetand P, Mewes SA, Norell J, Olivucci M, Oppel M, Phung QM, Pierloot K, Plasser F, Reiher M, Sand AM, Schapiro I, Sharma P, Stein CJ, Sørensen LK, Truhlar DG, Ugandi M, Ungur L, Valentini A, Vancoillie S, Veryazov V, Weser O, Wesołowski TA, Widmark P-O, Wouters S, Zech A, Zobel JP and Lindh R (2019) Openmolcas: From source code to insight, J. Chem. Theory Comput. 15(11): 5925—5964.]Search in Google Scholar
[Giovannetti G, Khomyakov PA, Brocks G, Karpan VM, Van Den Brink J, Kelly PJ (2008) Phys. Rev. Lett. 101(2): 4—7.]Search in Google Scholar
[Granatier J (2017) Acta Chim. Slovaca. 10(2): 159—164. Granatier J, Dubecký M, Lazar P, Otyepka M, Hobza P (2013) J. Chem. Theory Comput. 9(3): 1461—1468.]Search in Google Scholar
[Granatier J, Lazar P, Otyepka M, Hobza P (2011) J. Chem. Theory Comput. 7(11): 3743—3755.]Search in Google Scholar
[Grimme S, Antony J, Ehrlich S, Krieg H (2010) J. Chem. Phys. 132: 154104.]Search in Google Scholar
[Halkier A, Helgaker T, Jørgensen P, Klopper W, Koch H, et al. (1998) Chem. Phys. Lett. 286(3—4): 243—252. Heath JR, Ratner MA (2003) Phys. Today. 56: 43—49.]Search in Google Scholar
[Heckert M, Heun O, Gauss J, Szalay PG (2006) J. Chem. Phys. 124(12): 124105.]Search in Google Scholar
[Hess B, Chandra P (1987) Phys. Scr. 36: 412.]Search in Google Scholar
[Hong W, Bai H, Xu Y, Yao Z, Gu Z, Shi G (2010) J. Phys. Chem. C. 114(4): 1822—1826.]Search in Google Scholar
[Jurečka P, Hobza P (2002) Chem. Phys. Lett. 365(1—2): 89—94.]Search in Google Scholar
[Kendall RA, Dunning TH, Harrison RJ (1992) J. Chem. Phys. 96(9): 6796—6806.]Search in Google Scholar
[Khomyakov PA, Giovannetti G, Rusu PC, Brocks G, Van Den Brink J, Kelly PJ (2009) Phys. Rev. B — Condens. Matter Mater. Phys. 79(19): 1—12.]Search in Google Scholar
[Lazar P, Granatier J, Klimesd J, Hobzab P, Otyepka M (2014) Phys. Chem. Chem. Phys. 16: 20818—20827.]Search in Google Scholar
[Li Y, Fan X, Qi J, Ji J, Wang S, et al. (2010a) Mater. Res. Bull. 45(10): 1413—1418.]Search in Google Scholar
[Li Y, Fan X, Qi J, Ji J, Wang S, et al. (2010b) Nano Res. 3(6): 429—437.]Search in Google Scholar
[Malček M, Bučinský L (2020) Theor. Chem. Acc. 139(11): 167.]Search in Google Scholar
[Manadé M, Viñes F, Illas F (2015) Carbon N. Y. 95: 525—534.]Search in Google Scholar
[Møller C, Plesset MS (1934) Phys. Rev. 46(7): 618—622.]Search in Google Scholar
[Neese F (2012) Wiley Interdiscip. Rev. Comput. Mol. Sci. 2(1): 73—78.]Search in Google Scholar
[Neogrády P, Urban M (1995) Int. J. Quantum Chem. 55(2): 187—203.]Search in Google Scholar
[Nieminen V, Honkala K, Taskinen A, Yu Murzin D (2008) J. Phys. Chem. C. 112(17): 6822—6831.]Search in Google Scholar
[Perdew JP, Burke K, Ernzerhof M (1996) Phys. Rev. Lett. 77(18): 3865—3868.]Search in Google Scholar
[Perdew JP, Burke K, Ernzerhof M (1997) Phys. Rev. Lett. 78(7): 1396—1396.]Search in Google Scholar
[Roos BO, Lindh R, Malmqvist PÅ, Veryazov V, Widmark PO (2004) J. Phys. Chem. A. 108(15): 2851—2858.]Search in Google Scholar
[Roos BO, Lindh R, Malmqvist PÅ, Veryazov V, Widmark PO (2005) J. Phys. Chem. A. 109(29): 6575—6579.]Search in Google Scholar
[Singla M, Sharma D, Jaggi N (2021) Int. J. Hydrogen Energy. 46(29): 16188—16201.]Search in Google Scholar
[Scheuermann GM, Rumi L, Steurer P, Bannwarth W, Mülhaupt R (2009) J. Am. Chem. Soc. 131(23): 8262—8270.]Search in Google Scholar
[Shan C, Yang H, Han D, Zhang Q, Ivaska A, Niu L (2010) Biosens. Bioelectron. 25(5): 1070—1074.]Search in Google Scholar
[Syomin D, Kim J, Koel BE, Elison GB (2001) J. Phys. Chem. B. 105(35): 8387—8394.]Search in Google Scholar
[Tao J, Perdew JP, Staroverov VN, Scuseria GE (2003) Phys. Rev. Lett. 91(14): 3—6.]Search in Google Scholar
[Urban M, Neogrády P, Hubač I (1997) In Recent Advances in Coupled-Cluster Methods, pp. 275—306. Singapore. World Scie ed.]Search in Google Scholar
[Watts JD, Gauss J, Bartlett RJ (1993) J. Chem. Phys. 98(11): 8718—8733.]Search in Google Scholar
[Xiong Z, Zhang LL, Ma J, Zhao XS (2010) Chem. Commun. 46(33): 6099—6101.]Search in Google Scholar
[Weigend F, Ahlrichs R (2005) Phys. Chem. Chem. Phys. 7(18): 3297—3305.]Search in Google Scholar
