[Bag S, Maiti PK (2017) Phys. Rev. B 96(24): 245401. Doi: https://doi.org/10.1103/PhysRevB.96.245401.10.1103/PhysRevB.96.245401]Search in Google Scholar
[Barth WE, Lawton RG (1966) J. Am. Chem. Soc. 88:380. Doi: https://doi.org/10.1021/ja00954a049.10.1021/ja00954a049]Search in Google Scholar
[Becke AD (1988) Phys Rev A 38: 3098—3100. Doi: https://doi.org/10.1103/PhysRevA.38.3098.10.1103/PhysRevA.38.3098]Search in Google Scholar
[Bharat, Bhola, R, Bally T, Valente A, Cyrański MK, Dobrzycki Ł, Spain SM, Rempała P, Chin MR, King BT (2010) Angew. Chem. Int. Ed. 49: 399. Doi: https://doi.org/10.1002/anie.200905633.10.1002/anie.20090563319957259]Search in Google Scholar
[Boys SF, Bernardi F (1970) Mol Phys 19: 553—566. Doi: https://doi.org/10.1080/00268977000101561.10.1080/00268977000101561]Search in Google Scholar
[Brédas JL, Beljonne D, Coropceanu V, Cornil J (2004)]Search in Google Scholar
[Chem Rev 104: 4971—5003. Doi: https://doi.org/10.1021/cr040084k.10.1021/cr040084k15535639]Search in Google Scholar
[Chai W, Jin R (2016) J. Mol. Struct. 1103: 177—182. Doi: https://doi.org/10.1016/j.molstruc.2015.09.023.10.1016/j.molstruc.2015.09.023]Search in Google Scholar
[Chang YC, Kuo MY, Chen CP, Lu HF, Chao I (2010) J. Phys. Chem. C. 114: 11595—11601. Doi: https://doi.org/10.1021/jp1025625.10.1021/jp1025625]Search in Google Scholar
[Chernichenko KY, Sumerin VV, Shpanchenko RV, Balenkova ES and Nenajdenko G (2006) Angew. Chem. 45(44): 7367—7370. Doi: https://doi.org/10.1002/anie.200602190.10.1002/anie.20060219017001717]Search in Google Scholar
[Christoph H, Grunenberg J, Hopf H, Dix I, Jones PG, Scholtissek M, Maier G (2008) Chem. Eur. J. 14: 5604. Doi: https://doi.org/10.1002/chem.200701837.10.1002/chem.20070183718478614]Search in Google Scholar
[Cornil J, Lemaur V, Calbert JP, Brédas JL (2002) Adv Mater 14: 726. Doi: https://doi.org/10.1002/1521-4095(200107)13:14<1053::AIDADMA1053>3.0.CO;2-7.10.1002/1521-4095(20020517)14:10<726::AID-ADMA726>3.0.CO;2-D]Search in Google Scholar
[Da Silva Filho DA, Kim EG, Brédas JL (2005) Adv. Mater. 17: 1072—1076. Doi: https://doi.org/10.1002/adma.200401866.10.1002/adma.200401866]Search in Google Scholar
[Dadvand A, Cicoira F, Chernichenko YK, Balenkova ES, Osuna RM, Rosei F, Nenajdenko VG, Perepichka DF (2008) Chem. Commun. 42: 5354—5356. Doi: https://doi.org/10.1039/B809259A.10.1039/b809259a]Search in Google Scholar
[Datta A, Pati SK (2007) J. Phys. Chem. C 19: 4487—4490. Doi: https://doi.org/10.1021/jp070609n.10.1021/jp070609n]Search in Google Scholar
[Eichkorn K, Treutler O, Ohm H, Haser M, Ahlrichs R (1995) Chem. Phys. Lett., 240: 283—289. Doi: https://doi.org/10.1016/0009-2614(95)00621-A.10.1016/0009-2614(95)00621-A]Search in Google Scholar
[Eichkorn K, Weigend F, Treutler O, Ahlrichs R (1997) Theor. Chem. Acc. 97: 119—124. Doi: https://doi.org/10.1007/s002140050244.10.1007/s002140050244]Search in Google Scholar
[Feng CN, Kuo MY, Wu YT (2013) Angew. Chem. Int. Ed. 52: 7791. Doi: https://doi.org/10.1002/anie.201303875.10.1002/anie.20130387523794166]Search in Google Scholar
[Flukiger P, Luthi HP, Sortmann S, Weber J (2002) Molekel 4.3, Swiss National Supercomputing Centre, Manno, Switzerland.]Search in Google Scholar
[Friederich P, Meded V, Poschlad A, Neumann T, Rodin V, Stehr V, Symalla F, Danilov D, Lüdemann G, Fink RF, Kondov I, von Wrochem F, Wenzel W (2016) Adv. Funct. Mater. 26: 5757—5763. Doi: https://doi.org/10.1002/adfm.201601807.10.1002/adfm.201601807]Search in Google Scholar
[Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M, Li X, Hratchian HP, Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery JA Jr., Peralta JE, Ogliaro F, Bearpark M, Heyd JJ, Brothers E, Kudin KN, Staroverov VN, Keith T, Kobayashi R, Normand J, Raghavachari K, Rendell A, Burant JC, Iyengar SS, Tomasi J, Cossi M, Rega N, Millam JM, Klene M, Knox JE, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P, Dannenberg JJ, Dapprich S, Daniels AD, Farkas O, Foresman JB, Ortiz JV, Cioslowski J, Fox DJ (2009) Gaussian 09, Revision D.01, Gaussian Inc. Wallingford CT, Gaussian 09 Revis. C.01. (2010) Gaussian Inc., Wallingford CT. Doi: https://doi.org/10.1017/CBO9781107415324.004.10.1017/CBO9781107415324.004]Search in Google Scholar
[Frizzo CP, Martins MAP (2012) Struct Chem 23: 375—380. Doi: https://doi.org/10.1007/s11224-011-9883-z.10.1007/s11224-011-9883-z]Search in Google Scholar
[Gahungu G, Zhang J, Barancira T (2009) J. Phys. Chem. A 113: 255—262. Doi: https://doi.org/10.1021/jp804986b.10.1021/jp804986b19072112]Search in Google Scholar
[Grimme S, Antony J, Ehrlich S, Krieg H (2010) J Chem Phys 132(15): 154104. Doi: https://doi.org/10.1063/1.3382344.10.1063/1.3382344]Search in Google Scholar
[Hensel T, Andersen NN, Plesner M, Pittelkow M (2016) Synlett. 27(04): 498—525. Doi: https://doi.org/10.1055/s-0035-1560524.10.1055/s-0035-1560524]Search in Google Scholar
[Hohenberg P, Kohn W (1964) Phys. Rev. 136: B864—B871. Doi: https://doi.org/10.1103/PhysRev.136.B864.10.1103/PhysRev.136.B864]Search in Google Scholar
[Huong VTT, Tai TB, Nguyen MT (2012) Phys. Chem. Chem. Phys. 14: 14832—14841. Doi: https://doi.org/10.1039/C2CP42474F.10.1039/c2cp42474f]Search in Google Scholar
[Huong VTT, Tai TB, Nguyen MT (2015) RSC Adv. 5: 24167—24174. Doi: https://doi.org/10.1039/C4RA16485G.10.1039/C4RA16485G]Search in Google Scholar
[Larsson S, Klimkans A, Rodriguez-Monge L, Duskesas G (1998) Theochem-Journal Mol. Struct. 425: 155—159. Doi: https://doi.org/10.1016/S0166-1280(97)00216-9.10.1016/S0166-1280(97)00216-9]Search in Google Scholar
[Lee C, Yang W, Parr RG (1988) Phys Rev B 37: 785—789. Doi: https://doi.org/10.1103/PhysRevB.37.785.10.1103/PhysRevB.37.7859944570]Search in Google Scholar
[Lin YY, Gundlach DJ, Nelson SF, Jackson TN (1997) IEEE Electron Device Lett. 18: 606—608. Doi: https://doi.org/10.1109/55.644085.10.1109/55.644085]Search in Google Scholar
[Liu CC, Mao SW, Kuo MY (2010) J. Phys. Chem. C. 114: 22316—22321. Doi: https://doi.org/10.1021/jp1099464.10.1021/jp1099464]Search in Google Scholar
[Lukeš V, Cagardová D, Michalík M, Poliak P (2018) Synt. Met. 240: 67—76. Doi: https://doi.org/10.1016/j.synthmet.2018.03.014.10.1016/j.synthmet.2018.03.014]Search in Google Scholar
[Maier SA, Ankerhold J (2010) Phys. Rev. E 81: 021107. doi: https://doi.org/10.1103/PhysRevE.81.021107.10.1103/PhysRevE.81.021107]Search in Google Scholar
[Malagoli M, Brédas JL (2000) Chem Phys Lett 327: 13—17. Doi: https://doi.org/10.1016/S0009-2614(00)00757-0.10.1016/S0009-2614(00)00757-0]Search in Google Scholar
[Malagoli M, Coropceanu V, Da Silva Filho DA, Brédas JL (2004) J. Chem. Phys. 120: 7490—7496. Doi: https://doi.org/10.1063/1.1687675.10.1063/1.168767515267661]Search in Google Scholar
[Marcus RA (1993) Rev Mod Phys 65: 599—610. Doi: https://doi.org/10.1103/RevModPhys.65.599.10.1103/RevModPhys.65.599]Search in Google Scholar
[Mohakud S, Pati SK (2009) J. Mater. Chem.19: 4356—4361. Doi: https://doi.org/10.1039/B901014A.10.1039/b901014a]Search in Google Scholar
[Murphy AR, Fréchet JMJ (2007) Chem. Rev. 107: 1066—1096. Doi: https://doi.org/10.1021/cr0501386.10.1021/cr050138617428023]Search in Google Scholar
[Nagata Y, Kato S, Miyake Y, Shinokubo H (2017) Org. Lett. 19: 2718—2721. Doi: https://doi.org/10.1021/acs.orglett.7b01074.10.1021/acs.orglett.7b0107428489399]Search in Google Scholar
[Nan G, Shi Q, Shuai Z, Li Z (2011) Phys. Chem. Chem. Phys. 13: 9736—9746. Doi: https://doi.org/10.1039/C1CP00001B.10.1039/c1cp00001b21503350]Search in Google Scholar
[Ośmiałowski B, Raczyńska ED, Krygowski TM (2006) J Org Chem 71(10): 3727—3736. Doi: https://doi.org/10.1021/jo052615q.10.1021/jo052615q16674042]Search in Google Scholar
[Runge E, Gross EKU (1984) Phys. Rev. Lett. 52: 997—1000. doi: https://doi.org/10.1103/PhysRevLett.52.997.10.1103/PhysRevLett.52.997]Search in Google Scholar
[Sakamoto Y, Suzuki T (2013) J. Am. Chem. Soc. 135(38): 14074—14077. Doi: https://doi.org/10.1021/ja407842z.10.1021/ja407842z24015972]Search in Google Scholar
[Sakanoue K, Motoda M, Sugimoto M, Sakaki S (1999) J Phys Chem A 103: 5551—5556. Doi: https://doi.org/10.1021/jp990206q.10.1021/jp990206q]Search in Google Scholar
[Scholl R; Meyer K (1932) Ber. Dtsch. Chem. Ges. 65: 902. Doi: https://doi.org/10.1002/cber.19370701104. Sigma Aldrich (2019) website: https://www.sigmaaldrich.com/.10.1002/cber.19320650603]Search in Google Scholar
[Simon S, Duran M, Dannenberg JJ (1996) J. Chem. Phys. 105: 11024—11031. Doi: https://doi.org/10.1063/1.472902.10.1063/1.472902]Search in Google Scholar
[Wang L, Li P, Xu B, Zhang H, Tian W (2014) Org. Electron. 15: 2476—2485. Doi: https://doi.org/10.1016/j.orgel.2014.07.003.10.1016/j.orgel.2014.07.003]Search in Google Scholar
[Xantheas SS (1996) J. Chem. Phys. 104: 8821—8824. Doi: https://doi.org/10.1063/1.471605.10.1063/1.471605]Search in Google Scholar
[Xiong X, Deng CL, Li Z, Peng XS, Wong HNC (2017) Org. Chem. Front. 4(5): 682—687. Doi: https://doi.org/10.1039/C6QO00662K.10.1039/C6QO00662K]Search in Google Scholar
[Yakuphanoglu F, Mansouri S, Bourguiga R (2012) Synt. Met. 162: 918—923. Doi: https://doi.org/10.1016/j.synthmet.2012.04.003.10.1016/j.synthmet.2012.04.003]Search in Google Scholar
[Yamamoto K, Harada T, Nakazaki M, Naka T, Kai Y, Harada S, Kasai N (1983) J. Am. Chem. Soc. 105: 7171. Doi: https://doi.org/10.1021/ja00362a025.10.1021/ja00362a025]Search in Google Scholar
[Zheng J, Xu X, Truhlar DG (2011) Theor Chem Acc 128: 295. Doi: https://doi.org/10.1007/s00214-010-0846-z.10.1007/s00214-010-0846-z]Search in Google Scholar