J. E. Huheey , E. A.Keiter and R. L.Keiter , Inorganic Chemistry: Principles of Structure and Reactivity , HarperCollins College Publishers , 4th edn, 1993
Holm, 1996, Chem. Rev., 96, 2239, 10.1021/cr9500390
Baker, 1988, J. Mol. Biol., 203, 1071, 10.1016/0022-2836(88)90129-5
Nar, 1991, J. Mol. Biol., 221, 765, 10.1016/0022-2836(91)80173-R
Groeneveld, 1987, J. Inorg. Biochem., 31, 143, 10.1016/0162-0134(87)80059-4
Murphy, 1993, Biochemistry, 32, 1965, 10.1021/bi00059a013
Fittipaldi, 2006, ChemPhysChem, 7, 1286, 10.1002/cphc.200500551
Lipton, 2009, J. Am. Chem. Soc., 131, 13992, 10.1021/ja901308v
Penfield, 1985, J. Am. Chem. Soc., 107, 4519, 10.1021/ja00301a024
Gewirth, 1988, J. Am. Chem. Soc., 110, 3811, 10.1021/ja00220a015
Guckert, 1995, J. Am. Chem. Soc., 117, 2817, 10.1021/ja00115a016
LaCroix, 1996, J. Am. Chem. Soc., 118, 7755, 10.1021/ja961217p
Solomon, 1996, Inorg. Chim. Acta, 243, 67, 10.1016/0020-1693(95)04893-6
Solomon, 2004, Chem. Rev., 104, 419, 10.1021/cr0206317
Pierloot, 1998, J. Am. Chem. Soc., 120, 13156, 10.1021/ja982385f
van Gastel, 2002, J. Am. Chem. Soc., 124, 2035, 10.1021/ja0028166
Corni, 2005, Int. J. Quantum Chem., 102, 328, 10.1002/qua.20374
Sarangi, 2008, J. Am. Chem. Soc., 130, 3866, 10.1021/ja076495a
Hadt, 2012, J. Am. Chem. Soc., 134, 16701, 10.1021/ja306438n
Lancaster, 2012, J. Am. Chem. Soc., 134, 8241, 10.1021/ja302190r
Bernini, 2013, J. Am. Chem. Soc., 135, 4822, 10.1021/ja400464n
Garner, 2006, J. Am. Chem. Soc., 128, 15608, 10.1021/ja062732i
Marshall, 2009, Nature, 462, 113, 10.1038/nature08551
Zanetti-Polzi, 2015, Org. Biomol. Chem., 13, 11003, 10.1039/C5OB01819F
Fowler, 2017, Chem. – Eur. J., 23, 15436, 10.1002/chem.201702901
Sinicropi, 2018, Inorg. Chim. Acta, 470, 360, 10.1016/j.ica.2017.08.041
Mei, 2005, J. Phys. Chem. A, 109, 2, 10.1021/jp045109y
Antony, 2012, J. Comput. Chem., 33, 1730, 10.1002/jcc.23004
Sato, 2001, Chem. Phys. Lett., 341, 645, 10.1016/S0009-2614(01)00386-4
Ron, 2010, J. Am. Chem. Soc., 132, 4131, 10.1021/ja907328r
Artés, 2011, ACS Nano, 5, 2060, 10.1021/nn103236e
Artés, 2012, Nano Lett., 12, 2679, 10.1021/nl2028969
Amdursky, 2014, Adv. Mater., 26, 7142, 10.1002/adma.201402304
Artés, 2014, Small, 10, 2537, 10.1002/smll.201303753
Baldacchini, 2015, Appl. Phys. Lett., 106, 183701, 10.1063/1.4919911
Yu, 2015, ACS Nano, 9, 9955, 10.1021/acsnano.5b03950
Kradolfer, 2017, ACS Nano, 11, 12824, 10.1021/acsnano.7b07768
Fereiro, 2018, Proc. Natl. Acad. Sci. U. S. A., 115, E4577, 10.1073/pnas.1719867115
Baldacchini, 2016, Eur. Polym. J., 83, 407, 10.1016/j.eurpolymj.2016.04.030
Alessandrini, 2016, Eur. Polym. J., 83, 450, 10.1016/j.eurpolymj.2016.03.028
Tsai, 2013, Proc. Natl. Acad. Sci. U. S. A., 110, 14658, 10.1073/pnas.1314242110
Ruiz, 2017, J. Am. Chem. Soc., 139, 15337, 10.1021/jacs.7b06130
Venkat, 2007, Small, 3, 1431, 10.1002/smll.200700001
Kretchmer, 2018, Proc. Natl. Acad. Sci. U. S. A., 115, 6129, 10.1073/pnas.1805719115
J. C. Cuevas and E.Scheer , Molecular electronics: An introduction to theory and experiment , World Scientific , 2nd edn, 2017
Zotti, 2018, ACS Omega, 3, 3778, 10.1021/acsomega.7b01917
Liu, 2001, Proteins: Struct., Funct., Bioinf., 44, 484, 10.1002/prot.1114
Kepp, 2012, J. Inorg. Biochem., 107, 15, 10.1016/j.jinorgbio.2011.11.002
Solomon, 1996, Chem. Rev., 96, 2563, 10.1021/cr950046o
Tsukihara, 1995, Science, 269, 1069, 10.1126/science.7652554
Rasmussen, 2000, Biochemistry, 39, 12753, 10.1021/bi001811i
Zhang, 2014, Proc. Natl. Acad. Sci. U. S. A., 111, 10049, 10.1073/pnas.1316519111
Jakobsen, 2013, J. Chem. Theory Comput., 9, 3978, 10.1021/ct400452f
Zhao, 2018, J. Chem. Theory Comput., 14, 670, 10.1021/acs.jctc.7b01061
Bao, 2018, J. Phys. Chem. Lett., 9, 2353, 10.1021/acs.jpclett.8b00242
AMBER14, 2014, http://ambermd.org/
Salomon-Ferrer, 2013, J. Chem. Theory Comput., 9, 3878, 10.1021/ct400314y
Götz, 2012, J. Chem. Theory Comput., 8, 1542, 10.1021/ct200909j
Grand, 2013, Comput. Phys. Commun., 184, 374, 10.1016/j.cpc.2012.09.022
Maier, 2015, J. Chem. Theory Comput., 11, 3696, 10.1021/acs.jctc.5b00255
van den Bosch, 2005, ChemBioChem, 6, 738, 10.1002/cbic.200400244
Paltrinieri, 2013, J. Phys. Chem. Lett., 4, 710, 10.1021/jz302125k
Beedle, 2015, Nat. Commun., 6, 7894, 10.1038/ncomms8894
Zanetti-Polzi, 2016, Phys. Chem. Chem. Phys., 18, 18450, 10.1039/C6CP03394F
Berman, 2000, Nucleic Acids Res., 28, 235, 10.1093/nar/28.1.235
Gordon, 2005, Nucleic Acids Res., 33, W368, 10.1093/nar/gki464
Jorgensen, 1983, J. Chem. Phys., 79, 926, 10.1063/1.445869
Joung, 2009, J. Phys. Chem. B, 113, 13279, 10.1021/jp902584c
Li, 2013, J. Chem. Theory Comput., 9, 2733, 10.1021/ct400146w
Ozaki, 2003, Phys. Rev. B: Condens. Matter Mater. Phys., 67, 155108, 10.1103/PhysRevB.67.155108
Ozaki, 2004, Phys. Rev. B: Condens. Matter Mater. Phys., 69, 195113, 10.1103/PhysRevB.69.195113
Morrison, 1993, Phys. Rev. B: Condens. Matter Mater. Phys., 47, 6728, 10.1103/PhysRevB.47.6728
Vanderbilt, 1990, Phys. Rev. B: Condens. Matter Mater. Phys., 41, 7892, 10.1103/PhysRevB.41.7892
Perdew, 1996, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865
Zotti, 2017, Phys. Rev. B: Condens. Matter Mater. Phys., 95, 125438, 10.1103/PhysRevB.95.125438
Herrmann, 2010, J. Chem. Phys., 132, 024103, 10.1063/1.3283062
Kresse, 1996, Phys. Rev. B: Condens. Matter Mater. Phys., 54, 11169, 10.1103/PhysRevB.54.11169
Kerker, 1981, Phys. Rev. B: Condens. Matter Mater. Phys., 23, 3082, 10.1103/PhysRevB.23.3082
