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ChemPhysChem

Volumn 15, Issue 13, 2014, Pages 2682-2687

A Quantitative View of Charge Transfer in the Hydrogen Bond: The Water Dimer Case

(3) Ronca, Enrico a Belpassi, Leonardo b Tarantelli, Francesco a

a UNIVERSITY OF PERUGIA (Italy)

b CNR (Italy)

Author keywords

ab initio calculations; charge transfer; hydrogen bonds; intermolecular interactions; water dimer

Indexed keywords

WATER;

CHEMISTRY; DIMERIZATION; HYDROGEN BOND;

DIMERIZATION; HYDROGEN BONDING; WATER;

EID: 84908146468 PISSN: 14394235 EISSN: 14397641 Source Type: Journal
DOI: 10.1002/cphc.201402321 Document Type: Article

Times cited : (63)

References (57)

1
- 79960884684
- E. Arunan, G. R. Desiraju, R. A. Klein, J. Sadlej, S. Scheiner, I. Alkorta, D. C. Clary, R. H. Crabtree, J. J. Dannenberg, P. Hobza, H. G. Kjaergaard, A. C. Legon, B. Mennucci, D. J. Nesbitt, Pure Appl. Chem. 2011, 83, 1619-1636.
- (2011) Pure Appl. Chem. , vol.83 , pp. 1619-1636
- Arunan, E.¹ Desiraju, G.R.² Klein, R.A.³ Sadlej, J.⁴ Scheiner, S.⁵ Alkorta, I.⁶ Clary, D.C.⁷ Crabtree, R.H.⁸ Dannenberg, J.J.⁹ Hobza, P.¹⁰ Kjaergaard, H.G.¹¹ Legon, A.C.¹² Mennucci, B.¹³ Nesbitt, D.J.¹⁴

2
- 84887103554
- R. D. Gautam, Angew. Chem. 2011, 123, 52-60;
- (2011) Angew. Chem. , vol.123 , pp. 52-60
- Gautam, R.D.¹

3
- 79955786811
- Angew. Chem. Int. Ed. 2011, 50, 52-59.
- (2011) Angew. Chem. Int. Ed. , vol.50 , pp. 52-59

4
- 0041684239
- A. D. Buckingham, P. W. Fowler, J. M. Hutson, Chem. Rev. 1988, 88, 963-988.
- (1988) Chem. Rev. , vol.88 , pp. 963-988
- Buckingham, A.D.¹ Fowler, P.W.² Hutson, J.M.³

5
- 33744811377
- P. A. Kollman, L. C. Allen, Chem. Rev. 1972, 72, 283-303.
- (1972) Chem. Rev. , vol.72 , pp. 283-303
- Kollman, P.A.¹ Allen, L.C.²

6
- 79954529867
- S. J. Grabowski, Chem. Rev. 2011, 111, 2597-2625.
- (2011) Chem. Rev. , vol.111 , pp. 2597-2625
- Grabowski, S.J.¹

7
- 79957621096
- D. Ben-Amotz, J. Phys. Chem. Lett. 2011, 2, 1216-1222.
- (2011) J. Phys. Chem. Lett. , vol.2 , pp. 1216-1222
- Ben-Amotz, D.¹

8
- 0001312393
- B. Jeziorski, R. Moszynski, K. Szalewicz, Chem. Rev. 1994, 94, 1887-1930.
- (1994) Chem. Rev. , vol.94 , pp. 1887-1930
- Jeziorski, B.¹ Moszynski, R.² Szalewicz, K.³

9
- 64649094203
- A. J. Stone, A. J. Misquitta, Chem. Phys. Lett. 2009, 473, 201-205.
- (2009) Chem. Phys. Lett. , vol.473 , pp. 201-205
- Stone, A.J.¹ Misquitta, A.J.²

10
- 84890533453
- A. J. Misquitta, J. Chem. Theory Comput. 2013, 9, 5313-5326.
- (2013) J. Chem. Theory Comput. , vol.9 , pp. 5313-5326
- Misquitta, A.J.¹

11
- 79957623049
- S. Karthikeyan, R. Sedlak, P. Hobza, J. Phys. Chem. A 2011, 115, 9422-9428.
- (2011) J. Phys. Chem. A , vol.115 , pp. 9422-9428
- Karthikeyan, S.¹ Sedlak, R.² Hobza, P.³

12
- 84863661942
- C. Leforestier, K. Szalewicz, A. van der Avoird, J. Chem. Phys. 2012, 137, 014305.
- (2012) J. Chem. Phys. , vol.137 , pp. 014305
- Leforestier, C.¹ Szalewicz, K.² Van Der Avoird, A.³

13
- 84868260195
- A. J. Lee, S. W. Rick, J. Phys. Chem. Lett. 2012, 3, 3199-3203.
- (2012) J. Phys. Chem. Lett. , vol.3 , pp. 3199-3203
- Lee, A.J.¹ Rick, S.W.²

14
- 84875795629
- A. J. Lee, S. W. Rick, J. Chem. Phys. 2011, 134, 184507.
- (2011) J. Chem. Phys. , vol.134 , pp. 184507
- Lee, A.J.¹ Rick, S.W.²

15
- 77956643237
- L. Belpassi, M. L. Reca, F. Tarantelli, L. F. Roncaratti, F. Pirani, D. Cappelletti, A. Faure, Y. Scribano, J. Am. Chem. Soc. 2010, 132, 13046-13058.
- (2010) J. Am. Chem. Soc. , vol.132 , pp. 13046-13058
- Belpassi, L.¹ Reca, M.L.² Tarantelli, F.³ Roncaratti, L.F.⁴ Pirani, F.⁵ Cappelletti, D.⁶ Faure, A.⁷ Scribano, Y.⁸

16
- 84866390899
- D. Cappelletti, E. Ronca, L. Belpassi, F. Tarantelli, F. Pirani, Acc. Chem. Res. 2012, 45, 1571-1580.
- (2012) Acc. Chem. Res. , vol.45 , pp. 1571-1580
- Cappelletti, D.¹ Ronca, E.² Belpassi, L.³ Tarantelli, F.⁴ Pirani, F.⁵

17
- 71049150916
- L. Belpassi, F. Tarantelli, F. Pirani, P. Candori, D. Cappelletti, Phys. Chem. Chem. Phys. 2009, 11, 9970-9975.
- (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 9970-9975
- Belpassi, L.¹ Tarantelli, F.² Pirani, F.³ Candori, P.⁴ Cappelletti, D.⁵

18
- 73949112072
- L. F. Roncaratti, L. Belpassi, D. Cappelletti, F. Pirani, F. Tarantelli, J. Phys. Chem. A 2009, 113, 15223-15232.
- (2009) J. Phys. Chem. A , vol.113 , pp. 15223-15232
- Roncaratti, L.F.¹ Belpassi, L.² Cappelletti, D.³ Pirani, F.⁴ Tarantelli, F.⁵

19
- 84884181634
- Q. Wan, L. Spanu, G. A. Galli, F. Gygi, J. Chem. Theory Comput. 2013, 9, 4124-4130.
- (2013) J. Chem. Theory Comput. , vol.9 , pp. 4124-4130
- Wan, Q.¹ Spanu, L.² Galli, G.A.³ Gygi, F.⁴

20
- 36849107181
- K. Morokuma, J. Chem. Phys. 1971, 55, 1236-1244.
- (1971) J. Chem. Phys. , vol.55 , pp. 1236-1244
- Morokuma, K.¹

21
- 84987133653
- K. Kitaura, K. Morokuma, Int. J. Quantum Chem. 1976, 10, 325-340.
- (1976) Int. J. Quantum Chem. , vol.10 , pp. 325-340
- Kitaura, K.¹ Morokuma, K.²

22
- 0037943839
- W. J. Stevens, W. H. Fink, Chem. Phys. Lett. 1987, 139, 15-22.
- (1987) Chem. Phys. Lett. , vol.139 , pp. 15-22
- Stevens, W.J.¹ Fink, W.H.²

23
- 0029307295
- J. H. Jensen, M. S. Gordon, J. Phys. Chem. 1995, 99, 8091-8107.
- (1995) J. Phys. Chem. , vol.99 , pp. 8091-8107
- Jensen, J.H.¹ Gordon, M.S.²

24
- 0000110457
- Y. Mo, J. Gao, S. D. Peyerimhoff, J. Chem. Phys. 2000, 112, 5530-5538.
- (2000) J. Chem. Phys. , vol.112 , pp. 5530-5538
- Mo, Y.¹ Gao, J.² Peyerimhoff, S.D.³

25
- 34547554682
- R. Z. Khaliullin, M. Head-Gordon, A. T. Bell, J. Chem. Phys. 2006, 124, 204105.
- (2006) J. Chem. Phys. , vol.124 , pp. 204105
- Khaliullin, R.Z.¹ Head-Gordon, M.² Bell, A.T.³

26
- 84876124271
- P. R. Horn, E. J. Sundstrom, T. A. Baker, M. Head-Gordon, J. Chem. Phys. 2013, 138, 134119.
- (2013) J. Chem. Phys. , vol.138 , pp. 134119
- Horn, P.R.¹ Sundstrom, E.J.² Baker, T.A.³ Head-Gordon, M.⁴

27
- 33846684233
- M. Mitoraj, A. Michalak, J. Mol. Model. 2007, 13, 347-355.
- (2007) J. Mol. Model. , vol.13 , pp. 347-355
- Mitoraj, M.¹ Michalak, A.²

28
- 72049090965
- Q. Wu, P. W. Ayers, Y. Zhang, J. Chem. Phys. 2009, 131, 164112.
- (2009) J. Chem. Phys. , vol.131 , pp. 164112
- Wu, Q.¹ Ayers, P.W.² Zhang, Y.³

29
- 0011083499
- A. E. Reed, L. A. Curtiss, F. Weinhold, Chem. Rev. 1988, 88, 899-926.
- (1988) Chem. Rev. , vol.88 , pp. 899-926
- Reed, A.E.¹ Curtiss, L.A.² Weinhold, F.³

30
- 8344254548
- E. D. Glendening, A. Streitwieser, J. Chem. Phys. 1994, 100, 2900-2909.
- (1994) J. Chem. Phys. , vol.100 , pp. 2900-2909
- Glendening, E.D.¹ Streitwieser, A.²

31
- 43949105515
- R. Z. Khaliullin, A. T. Bell, M. Head-Gordon, J. Chem. Phys. 2008, 128, 184112.
- (2008) J. Chem. Phys. , vol.128 , pp. 184112
- Khaliullin, R.Z.¹ Bell, A.T.² Head-Gordon, M.³

32
- 79952493573
- P. De Silva, J. Korchowiec, J. Comput. Chem. 2011, 32, 1054-1064.
- (2011) J. Comput. Chem. , vol.32 , pp. 1054-1064
- De Silva, P.¹ Korchowiec, J.²

33
- 84855969329
- R. J. Azar, M. Head-Gordon, J. Chem. Phys. 2012, 136, 024103.
- (2012) J. Chem. Phys. , vol.136 , pp. 024103
- Azar, R.J.¹ Head-Gordon, M.²

34
- 0035845581
- F. N. Keutsch, R. J. Saykally, Proc. Natl. Acad. Sci. USA 2001, 98, 10533-10540.
- (2001) Proc. Natl. Acad. Sci. USA , vol.98 , pp. 10533-10540
- Keutsch, F.N.¹ Saykally, R.J.²

35
- 0037162258
- N. Goldman, R. S. Fellers, M. G. Brown, L. B. Braly, C. J. Keoshian, C. Leforestier, R. J. Saykally, J. Chem. Phys. 2002, 116, 10148-10163.
- (2002) J. Chem. Phys. , vol.116 , pp. 10148-10163
- Goldman, N.¹ Fellers, R.S.² Brown, M.G.³ Braly, L.B.⁴ Keoshian, C.J.⁵ Leforestier, C.⁶ Saykally, R.J.⁷

36
- 0000769510
- T. R. Dyke, K. M. Mack, J. S. Muenter, J. Chem. Phys. 1977, 66, 498-510.
- (1977) J. Chem. Phys. , vol.66 , pp. 498-510
- Dyke, T.R.¹ MacK, K.M.² Muenter, J.S.³

37
- 38349084434
- L. Belpassi, I. Infante, F. Tarantelli, L. Visscher, J. Am. Chem. Soc. 2008, 130, 1048-1060.
- (2008) J. Am. Chem. Soc. , vol.130 , pp. 1048-1060
- Belpassi, L.¹ Infante, I.² Tarantelli, F.³ Visscher, L.⁴

38
- 0345401784
- R. F. W. Bader, Chem. Rev. 1991, 91, 893-928.
- (1991) Chem. Rev. , vol.91 , pp. 893-928
- Bader, R.F.W.¹

39
- 77953824285
- N. Salvi, L. Belpassi, F. Tarantelli, Chem. Eur. J. 2010, 16, 7231-7240.
- (2010) Chem. Eur. J. , vol.16 , pp. 7231-7240
- Salvi, N.¹ Belpassi, L.² Tarantelli, F.³

40
- 84925372050
- G. Bistoni, L. Belpassi, F. Tarantelli, Angew. Chem. 2013, 125, 11813-11816;
- (2013) Angew. Chem. , vol.125 , pp. 11813-11816
- Bistoni, G.¹ Belpassi, L.² Tarantelli, F.³

41
- 84886042476
- Angew. Chem. Int. Ed. 2013, 52, 11599-11602.
- (2013) Angew. Chem. Int. Ed. , vol.52 , pp. 11599-11602

42
- 84871336735
- E. Ronca, M. Pastore, L. Belpassi, F. Tarantelli, F. De Angelis, Energy Environ. Sci. 2013, 6, 183-193.
- (2013) Energy Environ. Sci. , vol.6 , pp. 183-193
- Ronca, E.¹ Pastore, M.² Belpassi, L.³ Tarantelli, F.⁴ De Angelis, F.⁵

43
- 84888618967
- T. Moehl, H. N. Tsao, K.-L. Wu, H.-C. Hsu, Y. Chi, E. Ronca, F. De Angelis, M. K. Nazeeruddin, M. Grätzel, Chem. Mater. 2013, 25, 4497-4502.
- (2013) Chem. Mater. , vol.25 , pp. 4497-4502
- Moehl, T.¹ Tsao, H.N.² Wu, K.-L.³ Hsu, H.-C.⁴ Chi, Y.⁵ Ronca, E.⁶ De Angelis, F.⁷ Nazeeruddin, M.K.⁸ Grätzel, M.⁹

44
- 84905565119
- E. Ronca, M. Pastore, L. Belpassi, F. De Angelis, C. Angeli, R. Cimiraglia, F. Tarantelli, J. Chem. Phys. 2014, 140, 054110.
- (2014) J. Chem. Phys. , vol.140 , pp. 054110
- Ronca, E.¹ Pastore, M.² Belpassi, L.³ De Angelis, F.⁴ Angeli, C.⁵ Cimiraglia, R.⁶ Tarantelli, F.⁷

45
- 53449095407
- P. Valiron, M. Wernli, Al. Faure, L. Wiesenfeld, C. Rist, S. Kedzuch, J. Noga, J. Chem. Phys. 2008, 129, 134306.
- (2008) J. Chem. Phys. , vol.129 , pp. 134306
- Valiron, P.¹ Wernli, M.² Faure, Al.³ Wiesenfeld, L.⁴ Rist, C.⁵ Kedzuch, S.⁶ Noga, J.⁷

46
- 33746614482
- T. H. Dunning, J. Chem. Phys. 1989, 90, 1007-1023.
- (1989) J. Chem. Phys. , vol.90 , pp. 1007-1023
- Dunning, T.H.¹

47
- 26444474547
- D. E. Woon, T. H. Dunning, J. Chem. Phys. 1994, 100, 2975-2988.
- (1994) J. Chem. Phys. , vol.100 , pp. 2975-2988
- Woon, D.E.¹ Dunning, T.H.²

48
- 3843146349
- D. E. Woon, T. H. Dunning, J. Chem. Phys. 1993, 98, 1358-1371.
- (1993) J. Chem. Phys. , vol.98 , pp. 1358-1371
- Woon, D.E.¹ Dunning, T.H.²

49
- 70349288242
- a package of ab initio programs
- H.-J. Werner, P. J. Knowles, R. Lindh, F. R. Manby, M. Schütz, MOLPRO, version 2008.1, a package of ab initio programs, 2008, http://www.molpro.net.
- (2008) MOLPRO, Version
- Werner, H.-J.¹ Knowles, P.J.² Manby, F.R.³ Schütz, M.⁴

50
- 0006244148
- K. Raghavachari, G. W. Trucks, J. A. Pople, M. Head-Gordon, Chem. Phys. Lett. 1989, 157, 479-483.
- (1989) Chem. Phys. Lett. , vol.157 , pp. 479-483
- Raghavachari, K.¹ Trucks, G.W.² Pople, J.A.³ Head-Gordon, M.⁴

51
- 0002745201
- C. Hampel, K. A. Peterson, H.-J. Werner, Chem. Phys. Lett. 1992, 190, 1-12.
- (1992) Chem. Phys. Lett. , vol.190 , pp. 1-12
- Hampel, C.¹ Peterson, K.A.² Werner, H.-J.³

52
- 0011006010
- M. J. O. Deegan, P. J. Knowles, Chem. Phys. Lett. 1994, 227, 321-326.
- (1994) Chem. Phys. Lett. , vol.227 , pp. 321-326
- Deegan, M.J.O.¹ Knowles, P.J.²

53
- 74849117984
- R. Z. Khaliullin, A. T. Bell, M. Head-Gordon, Chem. Eur. J. 2009, 15, 851-855.
- (2009) Chem. Eur. J. , vol.15 , pp. 851-855
- Khaliullin, R.Z.¹ Bell, A.T.² Head-Gordon, M.³

54
- 33645892875
- F. Weinhold, Adv. Protein Chem. 2005, 72, 121-155.
- (2005) Adv. Protein Chem. , vol.72 , pp. 121-155
- Weinhold, F.¹

55
- 43949164521
- A. J. Stone, Chem. Phys. Lett. 1993, 211, 101-109.
- (1993) Chem. Phys. Lett. , vol.211 , pp. 101-109
- Stone, A.J.¹

56
- 84867921349
- E. A. Cobar, P. R. Horn, R. G. Bergman, M. Head-Gordon, Phys. Chem. Chem. Phys. 2012, 14, 15328-15339.
- (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 15328-15339
- Cobar, E.A.¹ Horn, P.R.² Bergman, R.G.³ Head-Gordon, M.⁴

57
- 33847088301
- H. Umeyama, K. Morokuma, J. Am. Chem. Soc. 1977, 99, 1316-1332.
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 1316-1332
- Umeyama, H.¹ Morokuma, K.²

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