Structural characteristics of formic acid dodecamers, (HCOOH)12

Chemical Physics Letters

Volumn 450, Issue 4-6, 2008, Pages 258-262

  Blair, Shamus A ^a   Thakkar, Ajit J ^a  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; MONOMERS; OLIGOMERS; POTENTIAL ENERGY SURFACES;

ENERGY STRUCTURES; FORMIC ACID DODECAMER; PENTAMERS; TETRAMERS;

FORMIC ACID;

EID: 37449004459     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.11.050     Document Type: Article

References (32)

1. Karle J., and Brockway L.O. J. Am. Chem. Soc. 66 (1944) 574
2. Hocking W.H. Z. Naturforsch. 31A (1976) 1113
3. Bjarnov E., and Hocking W.H. Z. Naturforsch. 33A (1978) 610
4. Almenningen A., Bastiansen O., and Motzfeldt T. Acta Chem. Scand. 23 (1969) 2848
5. Almenningen A., Bastiansen O., and Motzfeldt T. Acta Chem. Scand. 24 (1970) 747
6. Turi L. J. Phys. Chem. 100 (1996) 11285
7. Qian W., and Krimm S. J. Phys. Chem. A 105 (2001) 5046
8. Roszak S., Gee R.H., Balasubramanian K., and Fried L.E. J. Chem. Phys. 123 (2005) 144702
9. Marushkevich K., Khriachtchev L., Lundell J., and Räsänen M. J. Am. Chem. Soc. 128 (2006) 12060
10. Marushkevich K., Khriachtchev L., and Räsänen M. J. Chem. Phys. 126 (2007) 241102
11. Ramón J.M.H., and Ríos M.A. Chem. Phys. 250 (1999) 155
12. Roy A.K., and Thakkar A.J. Chem. Phys. Lett. 386 (2004) 162
13. Stein M., and Sauer J. Chem. Phys. Lett. 267 (1997) 111
14. Roy A.K., and Thakkar A.J. Chem. Phys. Lett. 393 (2004) 347
15. Wang W.H. Chem. Phys. Lett. 402 (2005) 54
16. Zhao Y., and Truhlar D.G. J. Phys. Chem. A 109 (2005) 6624
17. Takahashi O., Yamanouchi S., Yamamoto K., and Tabayashi K. Chem. Phys. Lett. 419 (2006) 501
18. Karpfen A., and Thakkar A.J. J. Chem. Phys. 124 (2006) 224313
19. Roy A.K., and Thakkar A.J. Chem. Phys. 312 (2005) 119
20. Wei D., Truchon J.-F., Sirois S., and Salahub D. J. Chem. Phys. 116 (2002) 6028
21. Aloisio S., Hintze P.E., and Vaida V. J. Phys. Chem. A 106 (2002) 363
22. George L., and Sander W. Spectrochim. Acta A 60 (2004) 3225
23. Allouche A. J. Chem. Phys. 122 (2005) 234703
24. Cramer C.J. Essentials of Computational Chemistry: Theories and Models. second edn. (2004), Wiley, New York
25. Jensen F. J. Chem. Phys. 116 (2002) 7372
26. Hart J.R., and Thakkar A.J. J. Mol. Struct. (Theochem) 714 (2005) 217
27. Jensen F. J. Chem. Phys. 117 (2002) 9234
28. Parallel Quantum Solutions, PQS version 3.2, 2013 Green Acres Road, Fayetteville, Arkansas 72703, 2005.
29. M.J. Frisch et al., Gaussian 03, Revision B.05, Gaussian, Inc., Pittsburgh PA, 2003.
30. Thakkar A.J., Kassimi N.E.-B., and Hu S. Chem. Phys. Lett. 387 (2004) 142
31. Roy A.K., Hu S., and Thakkar A.J. J. Chem. Phys. 122 (2005) 074313
32. S.A. Blair, Master's thesis, University of New Brunswick, 2007.