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68. Lakuntza O, Besora M, Maseras F (2018) Inorg Chem 57:14660–14670
69. Cremer D, Kraka E (2010) Curr Org Chem 14:1524–1560
70. Kalescky R, Kraka E, Cremer D (2014) Int J Quantum Chem 114:1060–1072
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76. Cremer D, Larsson JA, Kraka E (1998) New developments in the analysis of vibrational
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77. Konkoli Z, Larsson JA, Cremer D (1998) Int J Quantum Chem 67:11–27
78. Konkoli Z, Cremer D (1998) Int J Quantum Chem 67:29–40
79. Kaupp M, Danovich D, Shaik S (2017) Coord Chem Rev 344:355–362
80. Wu D, Dong C, Zhan H, Du XW (2018) J Phys Chem Lett 9(12):3387–3391
81. Lai W, Li C, Chen H, Shaik S (2012) Angew Chem Int Ed 51:5556–5578
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87. Kratzer A (1920) Z Physik 3:289–307
88. Kratzer A (1925) Phys Rev 25:240–254
89. Mecke R (1925) Z Physik 32:823–834
90. Morse PM (1929) Phys Rev 34:57–64
91. Badger RM (1935) Phys Rev 48:284–285
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93. Badger RM (1935) J Chem Phys 3:710–715
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97. Sutherland GBBM (1940) J Chem Phys 8:161–165
98. Clark CHD, Webb KR (1941) Trans Faraday Soc 37:293–298
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100. Linnett JW (1945) Trans Faraday Soc 41:223–232
101. Gordy W (1946) J Chem Phys 14:305–321
102. Wu CK, Chao SC (1947) Phys Rev 71:118–121
103. Guggenheimer KM (1950) Discuss Faraday Soc 9:207–222
104. Herzberg G (1950) Spectra of diatomic molecules, 2nd edn. D. Van Nostand Co. Inc.,
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105. Siebert H (1953) Z Anorg Allg Chem 273:170–182
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107. Jenkins HO (1955) Trans Faraday Soc 51:1042–1051
108. Varshni YP (1958) J Chem Phys 28:1078–1081
109. Varshni YP (1958) J Chem Phys 28:1081–1089
264
E. Kraka and M. Freindorf
66. Morse MD (2018) Acc Chem Res 52(1):119–126
67. Fang Z, Vasiliu M, Peterson KA, Dixon DA (2017) J Chem Theory Comput 13(3):1057–1066
68. Lakuntza O, Besora M, Maseras F (2018) Inorg Chem 57:14660–14670
69. Cremer D, Kraka E (2010) Curr Org Chem 14:1524–1560
70. Kalescky R, Kraka E, Cremer D (2014) Int J Quantum Chem 114:1060–1072
71. Kalescky R, Zou W, Kraka E, Cremer D (2014) J Phys Chem A 118:1948–1963
72. Oliveira V, Kraka E, Cremer D (2016) Inorg Chem 56:488–502
73. Setiawan D, Sethio D, Cremer D, Kraka E (2018) Phys Chem Chem Phys 20:23913–23927
74. Sethio D, Oliveira V, Kraka E (2018) Molecules 23:2763
75. Kraka E, Cremer D (2009) ChemPhysChem 10:686–698
76. Cremer D, Larsson JA, Kraka E (1998) New developments in the analysis of vibrational
spectra on the use of adiabatic internal vibrational modes. In: Parkanyi C (ed) Theoretical and
computational chemistry. Elsevier, Amsterdam, pp 259–327
77. Konkoli Z, Larsson JA, Cremer D (1998) Int J Quantum Chem 67:11–27
78. Konkoli Z, Cremer D (1998) Int J Quantum Chem 67:29–40
79. Kaupp M, Danovich D, Shaik S (2017) Coord Chem Rev 344:355–362
80. Wu D, Dong C, Zhan H, Du XW (2018) J Phys Chem Lett 9(12):3387–3391
81. Lai W, Li C, Chen H, Shaik S (2012) Angew Chem Int Ed 51:5556–5578
82. Stasyuk OA, Sedlak R, Guerra CF, Hobza P (2018) J Chem Theory Comput 14(7):3440–3450
83. Levine DS, Head-Gordon M (2017) PNAS 114(48):12649–12656
84. Andrés J, Ayers PW, Boto RA, Carbó-Dorca R, Chermette H, Cioslowski J, ContrerasGarcía J, Cooper DL, Frenking G, Gatti C, Heidar-Zadeh F, Joubert L, Martín Pendás Á,
Matito E, Mayer I, Misquitta AJ, Mo Y, Pilmé J, Popelier PLA, Rahm M, Ramos-Cordoba E,
Salvador P, Schwarz WHE, Shahbazian S, Silvi B, Solà M, Szalewicz K, Tognetti V,
Weinhold F, Zins ÉL (2019) J Comput Chem 40:2248–2283
85. Zou W, Kalescky R, Kraka E, Cremer D (2012) J Chem Phys 137:084114
86. Wilson EB, Decius JC, Cross PC (1955) Molecular vibrations. The theory of infrared and
raman vibrational spectra. McGraw-Hill, New York
87. Kratzer A (1920) Z Physik 3:289–307
88. Kratzer A (1925) Phys Rev 25:240–254
89. Mecke R (1925) Z Physik 32:823–834
90. Morse PM (1929) Phys Rev 34:57–64
91. Badger RM (1935) Phys Rev 48:284–285
92. Allen HS, Longair AK (1935) Nature 135:764–764
93. Badger RM (1935) J Chem Phys 3:710–715
94. Huggins ML (1935) J Chem Phys 3:473–479
95. Huggins ML (1936) J Chem Phys 4:308–312
96. Sutherland GBBM (1938) Proc Indiana Acad Sci 8:341
97. Sutherland GBBM (1940) J Chem Phys 8:161–165
98. Clark CHD, Webb KR (1941) Trans Faraday Soc 37:293–298
99. Wu CK, Yang C (1944) J Phys Chem 48:295–303
100. Linnett JW (1945) Trans Faraday Soc 41:223–232
101. Gordy W (1946) J Chem Phys 14:305–321
102. Wu CK, Chao SC (1947) Phys Rev 71:118–121
103. Guggenheimer KM (1950) Discuss Faraday Soc 9:207–222
104. Herzberg G (1950) Spectra of diatomic molecules, 2nd edn. D. Van Nostand Co. Inc.,
Princeton
105. Siebert H (1953) Z Anorg Allg Chem 273:170–182
106. Lippincott ER, Schroeder R (1955) J Chem Phys 23:1131–1142
107. Jenkins HO (1955) Trans Faraday Soc 51:1042–1051
108. Varshni YP (1958) J Chem Phys 28:1078–1081
109. Varshni YP (1958) J Chem Phys 28:1081–1089
264
E. Kraka and M. Freindorf