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Computational Strategies for Spectroscopy: From Small Molecules to Nano Systems

Volumn , Issue , 2011, Pages 261-307

Computational Approach to Rotational Spectroscopy

(1) Puzzarini, Cristina a

a UNIVERSITY OF BOLOGNA (Italy)

Author keywords

Predicting rotational spectra; Quantum chemical calculations; Rotational spectroscopy

Indexed keywords

EID: 84865504852 PISSN: None EISSN: None Source Type: Book
DOI: 10.1002/9781118008720.ch6 Document Type: Chapter

Times cited : (5)

References (149)

1
- 84886475848
- in Microwave Molecular Spectra, 3rd ed., A. Weissberger, Ed., Wiley, New York
- W. Gordy, R. L. Cook, in Microwave Molecular Spectra, 3rd ed., A. Weissberger, Ed., Wiley, New York, 1984.
- (1984)
- Gordy, W.¹ Cook, R.L.²

2
- 84886566494
- Molecular Rotation Spectra, Wiley, London
- H. W. Kroto, Molecular Rotation Spectra, Wiley, London, 1975.
- (1975)
- Kroto, H.W.¹

3
- 84886507254
- Microwave Spectroscopy, McGraw-Hill, NewYork
- C. H. Townes, A. L. Schawlov, Microwave Spectroscopy, McGraw-Hill, NewYork, 1955.
- (1955)
- Townes, C.H.¹ Schawlov, A.L.²

4
- 0346458665
- G.Winnewisser, F. Lewen, S. Thorwirth, M. Behnke, J. Hahn, J. Gauss, E. Herbst, Chem. Eur. J. 2003, 9, 5501.
- (2003) Chem. Eur. J , vol.9 , pp. 5501
- Winnewisser, G.¹ Lewen, F.² Thorwirth, S.³ Behnke, M.⁴ Hahn, J.⁵ Gauss, J.⁶ Herbst, E.⁷

5
- 0041691224
- L. Sari, M. C. McCarthy, H. F. Schaefer, III, P. Thaddeus, J. Am. Chem. Soc. 2003, 125, 11409.
- (2003) J. Am. Chem. Soc , vol.125 , pp. 11409
- Sari, L.¹ McCarthy, M.C.² Schaefer III, H.F.³ Thaddeus, P.⁴

6
- 0002725881
- A. J.Apponi,M. C.McCarthy,C.A.Gottlieb, P. Thaddeus, J.Chem.Phys. 1999, 111, 3911.
- (1999) J.Chem.Phys , vol.111 , pp. 3911
- Apponi, A.J.¹ McCarthy, M.C.² Gottlieb, C.A.³ Thaddeus, P.⁴

7
- 0000966968
- M. C. McCarthy, A. J. Apponi, P. Thaddeus, J. Chem. Phys. 1999, 111, 7175.
- (1999) J. Chem. Phys , vol.111 , pp. 7175
- McCarthy, M.C.¹ Apponi, A.J.² Thaddeus, P.³

8
- 1842607460
- M. C. McCarthy, S. Thorwirth, C. A. Gottlieb, P. Thaddeus, J. Am. Chem. Soc. 2004, 126, 4096.
- (2004) J. Am. Chem. Soc , vol.126 , pp. 4096
- McCarthy, M.C.¹ Thorwirth, S.² Gottlieb, C.A.³ Thaddeus, P.⁴

9
- 2742579571
- M. J. Travers, M. C. McCarthy, C. A. Gottlieb, P. Thaddeus, Astrophys. J. 1997, 483, L135.
- (1997) Astrophys. J , vol.483
- Travers, M.J.¹ McCarthy, M.C.² Gottlieb, C.A.³ Thaddeus, P.⁴

10
- 55349118809
- S. Thorwirth, J. Gauss, M. C. McCarthy, F. Shindo, P. Thaddeus, Chem. Common 2008, 5292.
- (2008) Chem. Common , pp. 5292
- Thorwirth, S.¹ Gauss, J.² McCarthy, M.C.³ Shindo, F.⁴ Thaddeus, P.⁵

11
- 0038107596
- L. Bizzocchi, C. Degli Esposti, P. Botschwina, J. Chem. Phys. 2003, 119, 170.
- (2003) J. Chem. Phys , vol.119 , pp. 170
- Bizzocchi, L.¹ Degli Esposti, C.² Botschwina, P.³

12
- 0000553006
- M. C. McCarthy,A. J. Apponi,V. D. Gordon, C. A. Gottlieb, P. Thaddeus, T. D. Crawford, J. F. Stanton, J. Chem. Phys. 1999, 111, 6750.
- (1999) J. Chem. Phys , vol.111 , pp. 6750
- McCarthy, M.C.¹ Apponi, A.J.² Gordon, V.D.³ Gottlieb, C.A.⁴ Thaddeus, P.⁵ Crawford, T.D.⁶ Stanton, J.F.⁷

13
- 21744442904
- Science
- K. Suma, Y. Sumiyoshi, Y. Endo, Science 2005 308, 1885.
- (2005) , vol.308 , pp. 1885
- Suma, K.¹ Sumiyoshi, Y.² Endo, Y.³

14
- 27544464191
- K. Suma, Y. Sumiyoshi, Y. Endo, J. Am. Chem. Soc. 2005, 127, 14998.
- (2005) J. Am. Chem. Soc , vol.127 , pp. 14998
- Suma, K.¹ Sumiyoshi, Y.² Endo, Y.³

15
- 64549141183
- M. Koerber, O. Baum, J. Hahn, T. F. Giesen, S. Schlemmer, J. Gauss, Inorg. Chem. 2009, 48, 2269.
- (2009) Inorg. Chem , vol.48 , pp. 2269
- Koerber, M.¹ Baum, O.² Hahn, J.³ Giesen, T.F.⁴ Schlemmer, S.⁵ Gauss, J.⁶

16
- 33746933776
- G. Cazzoli, C. Puzzarini, A. Gambi, J. Gauss, J. Chem. Phys. 2006, 125, 054313.
- (2006) J. Chem. Phys , vol.125 , pp. 054313
- Cazzoli, G.¹ Puzzarini, C.² Gambi, A.³ Gauss, J.⁴

17
- 0042154485
- R. J. McMahon, M. C. McCarthy, C. A. Gottlieb, J. B. Dudek, J. F. Stanton, P. Thaddeus, Astrophys. J. 2003, 590, L61.
- (2003) Astrophys. J , vol.590 , pp. 61
- McMahon, R.J.¹ McCarthy, M.C.² Gottlieb, C.A.³ Dudek, J.B.⁴ Stanton, J.F.⁵ Thaddeus, P.⁶

18
- 33750686013
- S. Brünken, M. C. McCarthy, P. Thaddeus, P. D. Godfrey, R. D. Brown, Astron. Astrophys. 2006, 459, 317.
- (2006) Astron. Astrophys , vol.459 , pp. 317
- Brünken, S.¹ McCarthy, M.C.² Thaddeus, P.³ Godfrey, P.D.⁴ Brown, R.D.⁵

19
- 33845868833
- 652
- M. C. McCarthy, C. A. Gottlieb, H. Gupta, P. Thaddeus, Astrophys. J. 2006, 652, L141.
- (2006) Astrophys. J , pp. 141
- McCarthy, M.C.¹ Gottlieb, C.A.² Gupta, H.³ Thaddeus, P.⁴

20
- 84858085087
- S. Brünken, H. Gupta, C. A. Gottlieb, M. C. McCarthy, P. Thaddeus, Astrophys. J. 2007, 664, L43.
- (2007) Astrophys. J , vol.664 , pp. 43
- Brünken, S.¹ Gupta, H.² Gottlieb, C.A.³ McCarthy, M.C.⁴ Thaddeus, P.⁵

21
- 0000570161
- M. Born, J. R. Oppenheimer, Ann. Phys. 1927, 84, 457.
- (1927) Ann. Phys , vol.84 , pp. 457
- Born, M.¹ Oppenheimer, J.R.²

22
- 84886484815
- Molecular Symmetry and Spectroscopy, NRC Reserach Press, Ottawa
- P. R. Bunker, P. Jensen, Molecular Symmetry and Spectroscopy, NRC Reserach Press, Ottawa, 1998, p. 211.
- (1998) , pp. 211
- Bunker, P.R.¹ Jensen, P.²

23
- 84886468706
- in Vibrational Spectra and Structure, J. During, Ed., Elsevier, Amsterdam
- J. K. G. Watson, in Vibrational Spectra and Structure, Vol. 6, J. During, Ed., Elsevier, Amsterdam, 1997, p. 1.
- (1997) , vol.6 , pp. 1
- Watson, J.K.G.¹

24
- 36849113532
- J. K. G. Watson, J. Chem. Phys. 1967, 46, 1935.
- (1967) J. Chem. Phys , vol.46 , pp. 1935
- Watson, J.K.G.¹

25
- 0008704690
- J. K. G. Watson, J. Chem. Phys. 1968, 48, 181.
- (1968) J. Chem. Phys , vol.48 , pp. 181
- Watson, J.K.G.¹

26
- 36849115521
- J. K. G. Watson, J. Chem. Phys. 1968, 48, 4517.
- (1968) J. Chem. Phys , vol.48 , pp. 4517
- Watson, J.K.G.¹

27
- 84886562104
- in Molecular Spectroscopy: Modern Research, K. N. Rao, Ed., Academic, New York
- M. R. Aliev, J. K. G. Watson, in Molecular Spectroscopy: Modern Research, Vol. III, K. N. Rao, Ed., Academic, New York, 1985, pp. 1-67.
- (1985) , vol.3 , pp. 1-67
- Aliev, M.R.¹ Watson, J.K.G.²

28
- 84945599356
- J. K. G. Watson, Mol. Phys. 1968, 15, 479.
- (1968) Mol. Phys , vol.15 , pp. 479
- Watson, J.K.G.¹

29
- 0042641964
- J. K. G. Watson, Mol. Phys. 1970, 19, 465.
- (1970) Mol. Phys , vol.19 , pp. 465
- Watson, J.K.G.¹

30
- 0036420287
- H. Meyer, Ann. Rev. 2002, 53, 141.
- (2002) Ann. Rev , vol.53 , pp. 141
- Meyer, H.¹

31
- 0001136801
- in Modern Spectroscopy: Modern Research, K. N. Rao, C.W.Matthews, Eds., Academic, New York
- I. A. Mills, in Modern Spectroscopy: Modern Research, K. N. Rao, C.W.Matthews, Eds., Academic, New York, 1972, p. 115.
- (1972) , pp. 115
- Mills, I.A.¹

32
- 84886571224
- Nuclear Quadrupole Coupling Constants, Academic, London/New York
- E. A. C. Lucken, Nuclear Quadrupole Coupling Constants, Academic, London/New York, 1969.
- (1969)
- Lucken, E.A.C.¹

33
- 0000621498
- W. H. Flygare, J. Chem. Phys. 1964, 41, 793.
- (1964) J. Chem. Phys , vol.41 , pp. 793
- Flygare, W.H.¹

34
- 84886483116
- Principles of Nuclear Magnetism, Oxford University Press, New York
- A. Abragam, Principles of Nuclear Magnetism, Oxford University Press, New York, 1961, p. 97.
- (1961) , pp. 97
- Abragam, A.¹

35
- 84886461733
- Multidimensional Solid State NMR and Polymers, Academic, New York
- K. Schmidt-Rohr, H.W. Spiess, Multidimensional Solid State NMR and Polymers, Academic, New York, 1994, p. 19.
- (1994) , pp. 19
- Schmidt-Rohr, K.¹ Spiess, H.W.²

36
- 0038179446
- D. L. Bryce, R. E. Wasylishen, Acc. Chem. Res. 2003, 36, 327.
- (2003) Acc. Chem. Res , vol.36 , pp. 327
- Bryce, D.L.¹ Wasylishen, R.E.²

37
- 84886570794
- Molecular Vibrational-Rotational Spectra, Elsevier, New York
- D. Papousek, M. R. Aliev, Molecular Vibrational-Rotational Spectra, Elsevier, New York, 1982.
- (1982)
- Papousek, D.¹ Aliev, M.R.²

38
- 0000659503
- J. Gauss, K. Ruud, T. Helgaker, J. Chem. Phys. 1996, 105, 2804.
- (1996) J. Chem. Phys , vol.105 , pp. 2804
- Gauss, J.¹ Ruud, K.² Helgaker, T.³

39
- 0001391889
- J. Gauss, D. Sundholm, Mol. Phys. 1997, 91, 449.
- (1997) Mol. Phys , vol.91 , pp. 449
- Gauss, J.¹ Sundholm, D.²

40
- 0037804155
- A. A. Auer, J. Gauss, J. F. Stanton, J. Chem. Phys. 2003, 118, 10407.
- (2003) J. Chem. Phys , vol.118 , pp. 10407
- Auer, A.A.¹ Gauss, J.² Stanton, J.F.³

41
- 84886486700
- M. Kaupp, M. Buhl, V. G. Malkin, Eds., Wiley, Weinheim, Chapter 10.
- K. Ruud, Calculation of NMR and EPR Parameters: Theory and Application, M. Kaupp, M. Buhl, V. G. Malkin, Eds., Wiley, Weinheim, 2004, Chapter 10.
- (2004) Calculation of NMR and EPR Parameters: Theory and Application
- Ruud, K.¹

42
- 0000978687
- K. Ruud, P.-O. A, Strand, P. R. Taylor, J. Chem. Phys. 2000, 112, 2668.
- (2000) J. Chem. Phys , vol.112 , pp. 2668
- Ruud, K.¹ Strand, P.-O.A.² Taylor, P.R.³

43
- 0001574692
- P.-O. A,Strand, K. Ruud, P. R. Taylor, J. Chem. Phys. 2000, 112, 2655.
- (2000) J. Chem. Phys , vol.112 , pp. 2655
- Strand, P.-O.A.¹ Ruud, K.² Taylor, P.R.³

44
- 0001456624
- C. E. Dykstra, D. J. Malik, J. Chem. Phys. 1987, 87, 2806.
- (1987) J. Chem. Phys , vol.87 , pp. 2806
- Dykstra, C.E.¹ Malik, D.J.²

45
- 0001643690
- D. Sundholm, J. Gauss, A. Schäfer, J. Chem. Phys. 1996, 105, 11051.
- (1996) J. Chem. Phys , vol.105 , pp. 11051
- Sundholm, D.¹ Gauss, J.² Schäfer, A.³

46
- 79955911372
- J. Vázquez, M. E. Harding, J. F. Stanton, J. Gauss, J. Chem. Theory Comput. 2011, 7, 1428.
- (2011) J. Chem. Theory Comput , vol.7 , pp. 1428
- Vázquez, J.¹ Harding, M.E.² Stanton, J.F.³ Gauss, J.⁴

47
- 0003418036
- Modern Electronic Structure Theory, D. R. Yarkony, Ed.,World Scientific, Singapore
- R. J. Bartlett, Modern Electronic Structure Theory, D. R. Yarkony, Ed.,World Scientific, Singapore, 1995, p. 1047 ff.
- (1995) , pp. 1047
- Bartlett, R.J.¹

48
- 0006244148
- K. Raghavachari, G. W. Trucks, J. A. Pople, M. Head-Gordon, Chem. Phys. Lett. 1989, 157, 479.
- (1989) Chem. Phys. Lett , vol.157 , pp. 479
- Raghavachari, K.¹ Trucks, G.W.² Pople, J.A.³ Head-Gordon, M.⁴

49
- 36549092221
- J. Noga, R. J. Bartlett, J. Chem. Phys. 1987, 86, 7041.
- (1987) J. Chem. Phys , vol.86 , pp. 7041
- Noga, J.¹ Bartlett, R.J.²

50
- 0004436739
- G. E. Scuseria, H. F. Schaefer III, Chem. Phys. Lett. 1988, 152, 382.
- (1988) Chem. Phys. Lett , vol.152 , pp. 382
- Scuseria, G.E.¹ Schaefer III, H.F.²

51
- 36549097248
- J. D. Watts, R. J. Bartlett, J. Chem. Phys. 1993, 93, 6104.
- (1993) J. Chem. Phys , vol.93 , pp. 6104
- Watts, J.D.¹ Bartlett, R.J.²

52
- 0035880942
- M. Kallay, P. R. Surján, J. Chem. Phys. 2001, 115, 2945.
- (2001) J. Chem. Phys , vol.115 , pp. 2945
- Kallay, M.¹ Surján, P.R.²

53
- 33746832843
- M. Heckert, M. Kállay, D. P. Tew, W. Klopper, J. Gauss, J. Chem. Phys. 2006, 125, 044108.
- (2006) J. Gauss, J. Chem. Phys , vol.125 , pp. 044108
- Heckert, M.¹ Kállay, M.² Tew, D.P.³ Klopper, W.⁴

54
- 27644478680
- M. Heckert, M. Kállay, J. Gauss, Mol. Phys. 2005, 103, 2109.
- (2005) Mol. Phys , vol.103 , pp. 2109
- Heckert, M.¹ Kállay, M.² Gauss, J.³

55
- 73949111402
- C. Puzzarini, J. Phys. Chem. 2009, 113A, 14530.
- (2009) J. Phys. Chem , vol.113 , pp. 14530
- Puzzarini, C.¹

56
- 71749092282
- C. Puzzarini, V. Barone, Phys. Chem. Chem. Phys. 2009, 11, 11463.
- (2009) Phys. Chem. Chem. Phys , vol.11 , pp. 11463
- Puzzarini, C.¹ Barone, V.²

57
- 77958058619
- C. Puzzarini, Int. J. Quant. Chem. 2010, 110, 2483.
- (2010) Int. J. Quant. Chem , vol.110 , pp. 2483
- Puzzarini, C.¹

58
- 36449009589
- D. Feller, J. Chem. Phys. 1993, 98, 7059.
- (1993) J. Chem. Phys , vol.98 , pp. 7059
- Feller, D.¹

59
- 0000724478
- T. Helgaker, W. Klopper, H. Koch, J. Noga, J. Chem. Phys. 1997, 106, 9639.
- (1997) J. Chem. Phys , vol.106 , pp. 9639
- Helgaker, T.¹ Klopper, W.² Koch, H.³ Noga, J.⁴

60
- 33746614482
- T. H. Dunning, Jr., J. Chem. Phys. 1989, 90, 1007.
- (1989) J. Chem. Phys , vol.90 , pp. 1007
- Dunning Jr, T.H.¹

61
- 0041536947
- A. K.Wilson, T. van Mourik, T. H. Dunning, Jr., J. Mol. Struct. (THEOCHEM) 1996, 388, 339.
- (1996) Jr., J. Mol. Struct. (THEOCHEM) , vol.388 , pp. 339
- Wilson, A.K.¹ van Mourik, T.² Dunning, T.H.³

62
- 36449006587
- D. E. Woon, T. H. Dunning, Jr., J. Chem. Phys. 1995, 103, 4572.
- (1995) Jr., J. Chem. Phys , vol.103 , pp. 4572
- Woon, D.E.¹ Dunning, T.H.²

63
- 0037115801
- K. Peterson, T. H. Dunning, Jr., J. Chem. Phys. 2002, 117, 10548.
- (2002) Jr., J. Chem. Phys , vol.117 , pp. 10548
- Peterson, K.¹ Dunning, T.H.²

64
- 0000899804
- W. Schneider, W. Thiel, Chem. Phys. Lett. 1989, 157, 367.
- (1989) Chem. Phys. Lett , vol.157 , pp. 367
- Schneider, W.¹ Thiel, W.²

65
- 0033646286
- J. F. Stanton, J. Gauss, Int. Rev. Phys. Chem. 2000, 19, 61.
- (2000) Int. Rev. Phys. Chem , vol.19 , pp. 61
- Stanton, J.F.¹ Gauss, J.²

66
- 0001717342
- J. F. Stanton, C. L. Lopreore, J. Gauss, J. Chem. Phys. 1998, 108, 7190.
- (1998) J. Chem. Phys , vol.108 , pp. 7190
- Stanton, J.F.¹ Lopreore, C.L.² Gauss, J.³

67
- 6944251055
- C. Møller, M. S. Plesset, Phys. Rev. 1934, 46, 618.
- (1934) Phys. Rev , vol.46 , pp. 618
- Møller, C.¹ Plesset, M.S.²

68
- 0001490016
- K. L. Bak, J. Gauss, T. Helgaker, P. Jørgensen, J. Olsen, Chem. Phys. Lett. 2000, 319, 563.
- (2000) Chem. Phys. Lett , vol.319 , pp. 563
- Bak, K.L.¹ Gauss, J.² Helgaker, T.³ Jørgensen, P.⁴ Olsen, J.⁵

69
- 84855828036
- A. Halkier, H. Larsen, J. Olsen, P. Jørgensen, J. Gauss, J. Chem. Phys. 1999, 110, 734.
- (1999) J. Chem. Phys , vol.110 , pp. 734
- Halkier, A.¹ Larsenv, H.² Olsen, J.³ Jørgensen, P.⁴ Gauss, J.⁵

70
- 0000126563
- A. Halkier, W. Klopper, T. Helgaker, P. Jørgensen, J. Chem. Phys. 1999, 111, 4424.
- (1999) J. Chem. Phys , vol.111 , pp. 4424
- Halkier, A.¹ Klopper, W.² Helgaker, T.³ Jørgensen, P.⁴

71
- 0001424932
- A. Halkier,H.Koch, O. Christiansen, P. Jørgensen,T. Helgaker, J. Chem. Phys. 1997, 107, 849.
- (1997) J. Chem. Phys , vol.107 , pp. 849
- Halkier, A.¹ Koch, H.² Christiansen, O.³ Jørgensen, P.⁴ Helgaker, T.⁵

72
- 0037154391
- L. Olsen, O. Christiansen, L. Hemmingsen, S. P. A. Sauer, K. V. Mikkelsen, J. Chem. Phys. 2002, 116, 1424.
- (2002) J. Chem. Phys , vol.116 , pp. 1424
- Olsen, L.¹ Christiansen, O.² Hemmingsen, L.³ Sauer, S.P.A.⁴ Mikkelsen, K.V.⁵

73
- 0000626677
- M. Pernpointner, M. Seth, P. Schwerdtfeger, J. Chem. Phys. 1998, 108, 6722.
- (1998) J. Chem. Phys , vol.108 , pp. 6722
- Pernpointner, M.¹ Seth, M.² Schwerdtfeger, P.³

74
- 55349142466
- S. Stopkowicz, J. Gauss, J. Chem. Phys. 2008, 129, 164119.
- (2008) J. Chem. Phys , vol.129 , pp. 164119
- Stopkowicz, S.¹ Gauss, J.²

75
- 51449103418
- G. Cazzoli, C. Puzzarini, S. Stopkowicz, J. Gauss, Mol. Phys. 2008, 106, 1181.
- (2008) Mol. Phys , vol.106 , pp. 1181
- Cazzoli, G.¹ Puzzarini, C.² Stopkowicz, S.³ Gauss, J.⁴

76
- 84886469368
- Relativistic Quantum Chemistry, Oxford University Press, New York
- K. G. Dyall, K. Fægri, Relativistic Quantum Chemistry, Oxford University Press, New York, 2007.
- (2007)
- Dyall, K.G.¹ Fægri, K.²

77
- 0041789600
- Part 1: Fundamentals, P. Schwerdtfeger, Ed., Elsevier, Amsterdam
- W. Kutzelnigg, in Relativistic Electronic Structure Theory, Part 1: Fundamentals, P. Schwerdtfeger, Ed., Elsevier, Amsterdam, 2002, p. 664 ff.
- (2002) in Relativistic Electronic Structure Theory , pp. 664
- Kutzelnigg, W.¹

78
- 0142089357
- Part 1: Fundamentals, P. Schwerdtfeger, Ed., Elsevier, Amsterdam
- A. Wolf, M. Reiher, B. A. Hess, in Relativistic Electronic Structure Theory, Part 1: Fundamentals, P. Schwerdtfeger, Ed., Elsevier, Amsterdam, 2002, p. 622 ff.
- (2002) in Relativistic Electronic Structure Theory , pp. 622
- Wolf, A.¹ Reiher, M.² Hess, B.A.³

79
- 77950961195
- C. Puzzarini, J. F. Stanton, J. Gauss, Int. Rev. Phys. Chem. 2010, 29, 273.
- (2010) Int. Rev. Phys. Chem , vol.29 , pp. 273
- Puzzarini, C.¹ Stanton, J.F.² Gauss, J.³

80
- 73449147357
- C. Puzzarini, G. Cazzoli, M. E. Harding, J. Vázquez, J. Gauss, J. Chem. Phys. 2009, 131, 234304.
- (2009) J. Chem. Phys , vol.131 , pp. 234304
- Puzzarini, C.¹ Cazzoli, G.² Harding, M.E.³ Vázquez, J.⁴ Gauss, J.⁵

81
- 84886468339
- to be published.
- C. Puzzarini, T. Metzroth, J. Gauss, to be published.
- Puzzarini, C.¹ Metzroth, T.² Gauss, J.³

82
- 0032509032
- T. Enevoldsen, J. Oddershede, S. P. A. Sauer, Theor. Chem. Acc. 1998, 100, 275.
- (1998) Theor. Chem. Acc , vol.100 , pp. 275
- Enevoldsen, T.¹ Oddershede, J.² Sauer, S.P.A.³

83
- 0001185992
- O. Vahtras, H. A,Gren, P. Jørgensen, H. J. A. Jensen, S. B. Padkjaer, T. Helgaker, J. Chem. Phys. 1992, 96, 6120.
- (1992) J. Chem. Phys , vol.96 , pp. 6120
- Vahtras, O.¹ Gren, H.A.² Jørgensen, P.³ Jensen, H.J.A.⁴ Padkjaer, S.B.⁵ Helgaker, T.⁶

84
- 0001741543
- S. A. Perera, M. Nooijen, R. J. Bartlett, J. Chem. Phys. 1996, 104, 3290.
- (1996) J. Chem. Phys , vol.104 , pp. 3290
- Perera, S.A.¹ Nooijen, M.² Bartlett, R.J.³

85
- 0035933968
- A. A. Auer, J. Gauss, J. Chem. Phys. 2001, 115, 1619.
- (2001) J. Chem. Phys , vol.115 , pp. 1619
- Auer, A.A.¹ Gauss, J.²

86
- 0036571189
- D. L. Bryce, R. E. Wasylishen, J. Autschbach, T. Ziegler, J. Am. Chem. Soc. 2004, 124, 4894.
- (2004) J. Am. Chem. Soc , vol.124 , pp. 4894
- Bryce, D.L.¹ Wasylishen, R.E.² Autschbach, J.³ Ziegler, T.⁴

87
- 36048961067
- C. Puzzarini, G. Cazzoli, A. Baldacci, A. Baldan, C. Michauk, J. Gauss, J. Chem. Phys. 2007, 127, 164302.
- (2007) J. Chem. Phys , vol.127 , pp. 164302
- Puzzarini, C.¹ Cazzoli, G.² Baldacci, A.³ Baldan, A.⁴ Michauk, C.⁵ Gauss, J.⁶

88
- 64649105000
- G. Cazzoli, C. Puzzarini, M. E. Harding, J. Gauss, Chem. Phys. Lett. 2009, 473, 21.
- (2009) Chem. Phys. Lett , vol.473 , pp. 21
- Cazzoli, G.¹ Puzzarini, C.² Harding, M.E.³ Gauss, J.⁴

89
- 44349110064
- C. Puzzarini, M. Heckert, J. Gauss, J. Chem. Phys. 2008, 128, 194108.
- (2008) J. Chem. Phys , vol.128 , pp. 194108
- Puzzarini, C.¹ Heckert, M.² Gauss, J.³

90
- 19844383983
- C. Puzzarini, S. Coriani, A. Rizzo, J. Gauss, Chem. Phys. Lett. 2005, 409, 118.
- (2005) Chem. Phys. Lett , vol.409 , pp. 118
- Puzzarini, C.¹ Coriani, S.² Rizzo, A.³ Gauss, J.⁴

91
- 0001816180
- N. Hansen, H. Mäder, F. Temps, Chem. Phys. Lett. 2000, 327, 97.
- (2000) Chem. Phys. Lett , vol.327 , pp. 97
- Hansen, N.¹ Mäder, H.² Temps, F.³

92
- 0035148367
- N. Hansen, H. Mäder, F. Temps, Phys. Chem. Chem. Phys. 2001, 3, 50.
- (2001) Phys. Chem. Chem. Phys , vol.3 , pp. 50
- Hansen, N.¹ Mäder, H.² Temps, F.³

93
- 19844369376
- N. Hansen, H. Mäder, F. Temps, Chem. Phys. Lett. 2005, 409, 149.
- (2005) Chem. Phys. Lett , vol.409 , pp. 149
- Hansen, N.¹ Mäder, H.² Temps, F.³

94
- 0038107596
- L. Bizzocchi, C. Degli Esposti, P. Botschwina, J. Chem. Phys. 2003, 119, 170.
- (2003) J. Chem. Phys , vol.119 , pp. 170
- Bizzocchi, L.¹ Degli Esposti, C.² Botschwina, P.³

95
- 2342512290
- G. Cazzoli, C. Puzzarini, A. Gambi, J. Chem. Phys. 2004, 120, 6495.
- (2004) J. Chem. Phys , vol.120 , pp. 6495
- Cazzoli, G.¹ Puzzarini, C.² Gambi, A.³

96
- 36749113752
- P. Pulay, W. Meyer, J. E. Boggs, J. Chem. Phys. 1978, 68, 5077.
- (1978) J. Chem. Phys , vol.68 , pp. 5077
- Pulay, P.¹ Meyer, W.² Boggs, J.E.³

97
- 5844353509
- A. L. L. East, C. S. Johnson, W. D. Allen, J. Chem. Phys. 1993, 98, 1299.
- (1993) J. Chem. Phys , vol.98 , pp. 1299
- East, A.L.L.¹ Johnson, C.S.² Allen, W.D.³

98
- 84886486279
- A. L. L. East, W. D. Allen, S. J. Klippenstein, J. Chem. Phys. 1995, 102, 850.
- (1995) J. Chem. Phys , vol.102 , pp. 850
- East, A.L.L.¹ Allen, W.D.² Klippenstein, S.J.³

99
- 0002765085
- in Structures and Conformations of Nonrigid Molecules, J. Laane, M. Dakkouri, B. van der Veken, H. Oberhammer, Eds., Kluwer, Dordrecht
- W. D. Allen, A. L. L. East, A. G. Csaszar, in Structures and Conformations of Nonrigid Molecules, J. Laane, M. Dakkouri, B. van der Veken, H. Oberhammer, Eds., Kluwer, Dordrecht, 1993, p. 343.
- (1993) , pp. 343
- Allen, W.D.¹ East, A.L.L.² Csaszar, A.G.³

100
- 36449008104
- M. C. McCarthy, C. A. Gottlieb, P. Thaddeus, M. Horn, P. Botschwina, J. Chem. Phys. 1995, 103, 7820.
- (1995) J. Chem. Phys , vol.103 , pp. 7820
- McCarthy, M.C.¹ Gottlieb, C.A.² Thaddeus, P.³ Horn, M.⁴ Botschwina, P.⁵

101
- 0002252754
- C. Bartel, P. Botschwina, H. Bürger, A. Guarnieri, Ä. Heyl, A. Huckauf, D. Lentz, T. Merzliak, E. B. Mkdami, Angew. Chem. 1998, 110, 3036.
- (1998) Angew. Chem , vol.110 , pp. 3036
- Bartel, C.¹ Botschwina, P.² Bürger, H.³ Guarnieri, A.⁴ Heyl, Ä.⁵ Huckauf, A.⁶ Lentz, D.⁷ Merzliak, T.⁸ Mkdami, E.B.⁹

102
- 0034836082
- A. A. Auer, J. Gauss, Phys. Chem. Chem. Phys. 2001, 3, 3001.
- (2001) Phys. Chem. Chem. Phys , vol.3 , pp. 3001
- Auer, A.A.¹ Gauss, J.²

103
- 0034677575
- J. Gauss, J. F. Stanton, J. Phys. Chem. A 2000, 104, 1319.
- (2000) J. Phys. Chem. A , vol.104 , pp. 1319
- Gauss, J.¹ Stanton, J.F.²

104
- 0034611653
- J. Gauss, J. F. Stanton, J. Phys. Chem. A 2000, 104, 2865.
- (2000) J. Phys. Chem. A , vol.104 , pp. 2865
- Gauss, J.¹ Stanton, J.F.²

105
- 0037091229
- F. Pawlowski, P. Jørgensen, J. Olsen, F. Hegelund, T. Helgaker, J. Gauss, K. L. Bak, J. F. Stanton, J. Chem. Phys. 2002, 116, 6482.
- (2002) J. Chem. Phys , vol.116 , pp. 6482
- Pawlowski, F.¹ Jørgensen, P.² Olsen, J.³ Hegelund, F.⁴ Helgaker, T.⁵ Gauss, J.⁶ Bak, K.L.⁷ Stanton, J.F.⁸

106
- 0345306144
- R. W. Larsen, F. Pawlowski, F. Hegelund, P. Jørgensen, J. Gauss, B. Nelander, Phys. Chem. Chem. Phys. 2003, 5, 5031.
- (2003) Phys. Chem. Chem. Phys , vol.5 , pp. 5031
- Larsen, R.W.¹ Pawlowski, F.² Hegelund, F.³ Jørgensen, P.⁴ Gauss, J.⁵ Nelander, B.⁶

107
- 2342503991
- P. G. Szalay, L. S. Thøgersen, J. Olsen, M. Kállay, J. Gauss, J. Phys. Chem. A 2004, 108, 3030.
- (2004) J. Phys. Chem. A , vol.108 , pp. 3030
- Szalay, P.G.¹ Thøgersen, L.S.² Olsen, J.³ Kállay, M.⁴ Gauss, J.⁵

108
- 0001023813
- J. F. Stanton, Mol. Phys. 1999, 97, 841.
- (1999) Mol. Phys , vol.97 , pp. 841
- Stanton, J.F.¹

109
- 37549045285
- J. Demaison, Mol. Phys. 2007, 105, 3109.
- (2007) Mol. Phys , vol.105 , pp. 3109
- Demaison, J.¹

110
- 33745699308
- N. C. Craig, P. Groner, D. C. McKean, J. Phys. Chem. A 2006, 110, 7461.
- (2006) J. Phys. Chem. A , vol.110 , pp. 7461
- Craig, N.C.¹ Groner, P.² McKean, D.C.³

111
- 34247470268
- N. C. Craig, D. Feller, P. Groner, H. Y. Hsin, D. C. McKean, D. J. Nemchick, J. Phys. Chem. A 2007, 111, 2498.
- (2007) J. Phys. Chem. A , vol.111 , pp. 2498
- Craig, N.C.¹ Feller, D.² Groner, P.³ Hsin, H.Y.⁴ McKean, D.C.⁵ Nemchick, D.J.⁶

112
- 0035852289
- P. Groner, R. D. Warren, J. Mol. Struct. 2001, 599, 323.
- (2001) J. Mol. Struct , vol.599 , pp. 323
- Groner, P.¹ Warren, R.D.²

113
- 29544437500
- P. Groner, S. G. Kukolich, J. Mol. Struct. 2006, 780-781, 178.
- J. Mol. Struct. 2006, 780-781, 178
- Groner, P.¹ Kukolich, S.G.²

114
- 50149118355
- S. Thorwirth, M.E. Harding, D. Muders, J. Gauss, J. Mol. Spectrosc. 2008, 251, 220.
- (2008) J. Mol. Spectrosc , vol.251 , pp. 220
- Thorwirth, S.¹ Harding, M.E.² Muders, D.³ Gauss, J.⁴

115
- 0034624443
- R. J. McMahon, R. J. Halter,R. L. Fimmen, R. J.Wilson, S. A. Peebles, R. L. Kuczkowski, J. F. Stanton, J. Am. Chem. Soc. 2000, 122, 939.
- (2000) J. Am. Chem. Soc , vol.122 , pp. 939
- McMahon, R.J.¹ Halter, R.J.² Fimmen, R.L.³ Wilson, R.J.⁴ Peebles, S.A.⁵ Kuczkowski, R.L.⁶ Stanton, J.F.⁷

116
- 0035852022
- R. J. Halter,R. L. Fimmen, R. J. McMahon, S. A. Peebles, R. L. Kuczkowski, J. F. Stanton, J. Am. Chem. Soc. 2001, 123, 12353.
- (2001) J. Am. Chem. Soc , vol.123 , pp. 12353
- Halter, R.J.¹ Fimmen, R.L.² McMahon, R.J.³ Peebles, S.A.⁴ Kuczkowski, R.L.⁵ Stanton, J.F.⁶

117
- 0037007780
- J. Vázquez, J. F. Stanton, J. Phys. Chem. A 2002, 106, 4429.
- (2002) J. Phys. Chem. A , vol.106 , pp. 4429
- Vázquez, J.¹ Stanton, J.F.²

118
- 33747183676
- O. Baum, S. Esser,N. Gierse, S. Brünken, F. Lewen, J. Hahn, J. Gauss, S. Schlemmer, T. F. Giesen, J. Mol. Struct. 2006, 795, 256.
- (2006) J. Mol. Struct , vol.795 , pp. 256
- Baum, O.¹ Esser, N.² Gierse, S.³ Brünken, S.⁴ Lewen, F.⁵ Hahn, J.⁶ Gauss, J.⁷ Schlemmer, S.⁸ Giesen, T.F.⁹

119
- 0035249459
- J. F. Stanton, J. Gauss, O. Christiansen, J. Chem. Phys. 2001, 114, 2993.
- (2001) J. Chem. Phys , vol.114 , pp. 2993
- Stanton, J.F.¹ Gauss, J.² Christiansen, O.³

120
- 33746911123
- C. Puzzarini, G. Cazzoli, A. Gambi, J. Gauss, J. Chem. Phys. 2006, 125, 054307.
- (2006) J. Chem. Phys , vol.125 , pp. 054307
- Puzzarini, C.¹ Cazzoli, G.² Gambi, A.³ Gauss, J.⁴

121
- 50149118355
- S. Thorwirth, M. E. Harding, D. Muders, J. Gauss, J. Mol. Spectrosc. 2008, 251, 220.
- (2008) J. Mol. Spectrosc , vol.251 , pp. 220
- Thorwirth, S.¹ Harding, M.E.² Muders, D.³ Gauss, J.⁴

122
- 0035526878
- P. Botschwina, C. Puzzarini, J. Mol. Spectrosc. 2001, 208, 292.
- (2001) J. Mol. Spectrosc , vol.208 , pp. 292
- Botschwina, P.¹ Puzzarini, C.²

123
- 50149085277
- G. Cazzoli, L. Cludi, M. Contento, C. Puzzarini, J. Mol. Spectrosc. 2008, 251, 229.
- (2008) J. Mol. Spectrosc , vol.251 , pp. 229
- Cazzoli, G.¹ Cludi, L.² Contento, M.³ Puzzarini, C.⁴

124
- 2642565163
- L. Bizzocchi, C. Degli Esposti, P. Botschwina, J. Mol. Spectrosc. 2004, 225, 145.
- (2004) J. Mol. Spectrosc , vol.225 , pp. 145
- Bizzocchi, L.¹ Degli Esposti, C.² Botschwina, P.³

125
- 33846069354
- G. Cazzoli, C. Puzzarini, A. Baldacci, A. Baldan, J. Mol. Spectrosc. 2007, 241, 112.
- (2007) J. Mol. Spectrosc , vol.241 , pp. 112
- Cazzoli, G.¹ Puzzarini, C.² Baldacci, A.³ Baldan, A.⁴

126
- 0642303075
- P. Pyykkö, Z. Naturforsch. 1992, 47a, 189.
- (1992) , vol.47 , pp. 189
- Pyykkö, P.¹ Naturforsch, Z.²

127
- 0035841045
- P. Pyykkö, Mol. Phys. 2001, 99, 1617.
- (2001) Mol. Phys , vol.99 , pp. 1617
- Pyykkö, P.¹

128
- 56149127229
- P. Pyykkö, Mol. Phys. 2008, 106, 1965.
- (2008) Mol. Phys , vol.106 , pp. 1965
- Pyykkö, P.¹

129
- 84886488245
- to be published.
- J. Gauss, M. E. Harding, S. Stopkowicz, C. Puzzarini, to be published.
- Gauss, J.¹ Harding, M.E.² Stopkowicz, S.³ Puzzarini, C.⁴

130
- 33749838646
- W. H. Flygare, Chem. Rev. 1974, 74, 653.
- (1974) Chem. Rev , vol.74 , pp. 653
- Flygare, W.H.¹

131
- 0000635363
- C. J. Jameson, Chem. Rev. 1991, 91, 1375.
- (1991) Chem. Rev , vol.91 , pp. 1375
- Jameson, C.J.¹

132
- 0037045151
- R. E. Wasylishen, D. L. Bryce, J. Chem. Phys. 2002, 117, 10061.
- (2002) J. Chem. Phys , vol.117 , pp. 10061
- Wasylishen, R.E.¹ Bryce, D.L.²

133
- 0033576849
- M. Gee, R. E. Wasylishen, A. Laaksonen, J. Phys. Chem. A 1999, 103, 10805.
- (1999) J. Phys. Chem. A , vol.103 , pp. 10805
- Gee, M.¹ Wasylishen, R.E.² Laaksonen, A.³

134
- 0001643690
- D. Sundholm, J. Gauss, A. Schäfer, J. Chem. Phys. 1996, 105, 11051.
- (1996) J. Chem. Phys , vol.105 , pp. 11051
- Sundholm, D.¹ Gauss, J.² Schäfer, A.³

135
- 0043043738
- N. F. Ramsey, Phys. Rev. 1950, 78, 699.
- (1950) Phys. Rev , vol.78 , pp. 699
- Ramsey, N.F.¹

136
- 25144458444
- G. Cazzoli, C. Puzzarini, J. Mol. Spectrosc. 2005, 233, 280.
- (2005) J. Mol. Spectrosc , vol.233 , pp. 280
- Cazzoli, G.¹ Puzzarini, C.²

137
- 22944460758
- G. Cazzoli, C. Puzzarini, J. Gauss, Astrophys. J. Suppl. 2005, 159, 181.
- (2005) Astrophys. J. Suppl , vol.159 , pp. 181
- Cazzoli, G.¹ Puzzarini, C.² Gauss, J.³

138
- 36149026070
- E. L. Hill, J. H. Van Vleck, Phys. Rev. 1928, 32, 250.
- (1928) Phys. Rev , vol.32 , pp. 250
- Hill, E.L.¹ Van Vleck, J.H.²

139
- 0000902671
- E. Fermi, Z. Phys. 1930, 60, 320.
- (1930) Z. Phys , vol.60 , pp. 320
- Fermi, E.¹

140
- 36149010203
- A. Frosch H. M. Foley, Phys. Rev. 1952, 88, 1337.
- (1952) Phys. Rev , vol.88 , pp. 1337
- Frosch, A.¹ Foley, H.M.²

141
- 0042196228
- A. R. Al Derzi, S. Fau, R. J. Bartlett, J. Phys. Chem. 2003, 107A, 6656.
- (2003) J. Phys. Chem , vol.107 A , pp. 6656
- Al Derzi, A.R.¹ Fau, S.² Bartlett, R.J.³

142
- 1842506971
- R. Improta, V. Barone, Chem. Rev. 2004, 104, 1231.
- (2004) Chem. Rev , vol.104 , pp. 1231
- Improta, R.¹ Barone, V.²

143
- 78449293658
- C. Puzzarini, V. Barone, J. Chem. Phys. 2010, 133, 184301.
- (2010) J. Chem. Phys , vol.133 , pp. 184301
- Puzzarini, C.¹ Barone, V.²

144
- 50849117128
- C. Puzzarini, V. Barone, J. Chem. Phys. 2008, 129, 084306.
- (2008) J. Chem. Phys , vol.129 , pp. 084306
- Puzzarini, C.¹ Barone, V.²

145
- 33645705899
- R. F. Curl, Mol. Phys. 1965, 9, 585.
- (1965) Mol. Phys , vol.9 , pp. 585
- Curl, R.F.¹

146
- 0032396101
- M. Engström, B. Minaev, O. Vahtras, H. Agren, Chem. Phys. 1998, 237, 149.
- (1998) Chem. Phys , vol.237 , pp. 149
- Engström, M.¹ Minaev, B.² Vahtras, O.³ Agren, H.⁴

147
- 38849178916
- F. Neese, Mol. Phys. 2007, 105, 2507.
- (2007) Mol. Phys , vol.105 , pp. 2507
- Neese, F.¹

148
- 70350381565
- J. Gauss, M. Kállay, F. Neese, J. Phys. Chem. 2009, 113A, 11541.
- (2009) J. Phys. Chem , vol.113 A , pp. 11541
- Gauss, J.¹ Kállay, M.² Neese, F.³

149
- 0001753285
- M. Tonooka, S. Yamamoto, K. Kobayashi, S. Saito, J. Chem. Phys. 1997, 106, 2563.
- (1997) J. Chem. Phys , vol.106 , pp. 2563
- Tonooka, M.¹ Yamamoto, S.² Kobayashi, K.³ Saito, S.⁴

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