Density functional theory and topological analysis on the hydrogen bonds in cysteine-propanoic acid complexes

Structural Chemistry

Volumn 21, Issue 4, 2010, Pages 855-862

  Huang, Zhengguo ^a   Yu, Lei ^a   Dai, Yumei ^a  

^a TIANJIN NORMAL UNIVERSITY   (China)

Author keywords

Cysteine; Density functional theory; Hydrogen bond; Propanoic acid; QTAIM

Indexed keywords

EID: 77954423094     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-010-9620-z     Document Type: Article

References (38)

1. Tiffani MH, Jacek D, Terrance W, Glake AH (2009) Int J Quantum Chem 109: 119.
2. Luebker DJ, Hansen KJ, Bass NM, Butenhoff JL, Seacat AM (2002) Toxicology 176: 175.
3. Han X, Snow TA, Kemper RA, Jepson GW (2003) Chem Res Toxicol 16: 775.
4. Heuvel JPV, Kuslikis BI, Peterson RE (1992) Chem Biol Interact 82: 317.
5. Kitagawa Y, Shoji M, Saito T, Nakanishi Y, Koizumi K, Kawakami T, Okumura M, Yamaguchi K (2008) Int J Quantum Chem 108: 2881.
6. Maul R, Ortmann F, Preuss M, Hannewald K, Bechstedt F (2007) J Comput Chem 28: 1817.
7. Rozas I, Alkorta I, Elguero J (2008) Struct Chem 19: 923.
8. Troitino D, Bailey L, Peral F (2006) Theochem J Mol Struct 767: 131.
9. Bader RFW (1990) Atoms in molecules: a quantum theory. Oxford University Press, Oxford, UK.
10. Popelier PLA (2000) Atoms in molecules: an introduction. Prentice Hall, London.
11. Matta CF, Boyd RJ (2007) The quantum theory of atoms in molecules: from solid state to DNA and drug design. Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
12. Reed AE, Curtiss LA, Weinhold F (1988) Chem Rev 88: 899.
13. Reed AE, Weinhold F, Curtiss LA, Pochatko DJ (1986) J Chem Phys 84: 5687.
14. Beche AD (1988) Phys Rev A 38: 3098.
15. Lee C, Yang W, Parr RG (1988) Phys Rev B 37: 785.
16. McLean AD, Chandler GS (1980) J Chem Phys 72: 5639.
17. Krishnan R, Binkley JS, Seeger R, Pople JA (1980) J Chem Phys 72: 650.
18. Nozad AG, Meftah S, Ghasemi MH, Kiyani RA, Aghazadeh M (2009) Biophys Chem 141: 49.
19. Ebrahimi A, Habibi Khorassani SM, Delarami H (2009) Chem Phys 365: 18.
20. Domagala M, Grabowski SJ (2009) Chem Phys 363: 42.
21. Yang C, Wang HJ (2008) Struct Chem 19: 843.
22. Boys SF, Bernardi F (1970) Mol Phys 19: 553.
23. Frisch MJ, Truchs GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA Jr, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Gonzalez C, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA (2003) Gaussian, Inc., Pittsburgh, PA.
24. Biegler-König F (2000) University of Applied Sciences. Bielefeld, Germany.
25. Dobrowolski JC, Jamroz MH, Kolos R, Rode JE, Sadlej J (2007) Chem Phys Chem 8: 1085.
26. Dobrowolski JC, Rode JE, Sadlej J (2007) Theochem J Mol Struct 810: 129.
27. Fernandez-Ramos A, Cabaleiro-Lago E, Hermida-Ramon JM, Martinez-Nunez E, Pena-Gallego A (2000) Theochem J Mol Struct 498: 191.
28. Pecul M (2006) Chem Phys Lett 418: 1.
29. Popelier PLA (1998) J Phys Chem A 102: 1873.
30. Galvez O, Gomez PC, Pacios LF (2003) J Chem Phys 118: 4878.
31. Miao R, Jin C, Yang GS, Hong J, Zhao CM, Zhu LG (2005) J Phys Chem A 109: 2340.
32. Parreira RLT, Valdes H, Galembeck SE (2006) Chem Phys 331: 96.
33. Tian SX (2004) J Phys Chem B 108: 20388.
34. Zhou HW, Lai WP, Zhang ZQ, Li WK, Cheung HY (2009) J Comput Aided Mol Des 23: 153.
35. Koch U, Popelier PLA (1995) J Phys Chem 99: 9747.
36. Bondi A (1964) J Phys Chem 68: 441.
37. Arnold WD, Oldfield E (2000) J Am Chem Soc 122: 12835.
38. Pacios LF (2004) J Phys Chem A 108: 1177.