The change of the proton magnetic shielding in red- and blue-shifted linear hydrogen-bonded complexes

Theoretical Chemistry Accounts

Volumn 119, Issue 1-3, 2008, Pages 29-34

  McDowell, Sean A C ^a,b   Buckingham, A David ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF THE WEST INDIES   (Jamaica)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 37549052812     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-006-0182-5     Document Type: Article

References (23)

1. Pimentel GC, McLellan AL (1960) The hydrogen bond. Freeman, San Francisco
2. Pople JA, Schneider WG, Bernstein HJ (1959) High-resolution nuclear magnetic resonance. McGraw-Hill, New York
3. Pullman B (ed) (1981) Intermolecular forces: the Jerusalem symposia on quantum chemistry and biochemistry. D. Reidel, Dordrecht
4. Scheiner S (1997) Hydrogen bonding. Oxford University Press, New York
5. Hobza P, Havlas Z (2002). Theor Chem Acc 108:325
6. Pohle W, Gauger DR, Bohl M, Mrazkova E, Hobza P (2004). Biopolymers 74:27
7. Lignell A, Khriachtchev L, Pettersson M, Rasanen M (2003). J Chem Phys 118:11120
8. McDowell SAC (2003). J Chem Phys 119:3711
9. McDowell SAC (2003). Phys Chem Chem Phys 5:808
10. Hermansson K (2002). J Phys Chem A 106:4695
11. Li X, Liu L, Schlegel HB (2002). J Am Chem Soc 124:9639
12. McDowell SAC, Buckingham AD (2005). J Am Chem Soc 127:15515
13. McDowell SAC, Buckingham AD (2006). Mol Phys 104:2527
14. London F (1937). J Phys Radium 8:397
15. Ditchfield R (1974). Mol Phys 27:789
16. Wolinski K, Hinton JF, Pulay P (1990). J Am Chem Soc 112:8251
17. Gaussian 03, Revision A.7, Frisch MJ et al (2003) Gaussian, Inc., Pittsburgh
18. Buckingham AD, Tantirungrotechai Y (1999). Mol Phys 96:1217
19. Buckingham AD, Tantirungrotechai Y (1999). Mol Phys 96:1225
20. Buckingham AD, Stiles PJ (1972). Mol Phys 24:99
21. Rauhut G, Puyear S, Wolinski K, Pulay P (1996). J Phys Chem 100:6310
22. Keal TW, Tozer DJ, Helgaker T (2004). Chem Phys Lett 391:374
23. Wilson PJ, Amos RD, Handy NC (1999). Mol Phys 97:757