Gas electron diffraction and quantum-mechanical study of dimethyloxalate

Structural Chemistry

Volumn 16, Issue 1, 2005, Pages 41-46

  Vishnevskiy, Yu V ^a,b   Ivanov, A A ^a,b   Oberhammer, H ^a,b   Vilkov, L V ^a,b  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF TÜBINGEN   (Germany)

Author keywords

ab initio and DFT calculations; Dimethyloxalate; Gas electron diffraction

Indexed keywords

CARBON; DIMETHYLOXALATE; OXALIC ACID DERIVATIVE; OXYGEN; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CONFORMATIONAL TRANSITION; COVALENT BOND; DENSITY FUNCTIONAL THEORY; ELECTRON DIFFRACTION; ENERGY TRANSFER; GAS ELECTRON DIFFRACTION; GEOMETRY; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODEL; QUANTUM MECHANICS; QUANTUM THEORY; X RAY ANALYSIS;

EID: 16844372844     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-005-1079-y     Document Type: Article

References (21)

1. Durig, J. R.; Davis, J. F.; Wang, A. J. Mol. Struct. 1996, 375, 67.
2. Danielson, D. D.; Hedberg, L.; Hedberg, K.; Hagen, K.; Traetteberg, M. J. Phys. Chem. 1995, 99, 9374.
3. Hagen, K.; Hedberg, K. J. Am. Chem. Soc. 1973, 95, 4796.
4. Kuchitsu, K.; Fukuyama, T.; Morino, Y. J. Mol. Struct. 1968, 1, 463.
5. Gurrie, G. N.; Ramsay, D. A. Can. J. Phys. 1971, 49, 317.
6. Durig, J. R.; Tong, C. C.; Li, Y. S. J. Chem. Phys. 1972, 57, 4425.
7. Cole, A. R. H.; Li, Y. S.; Durig, J. R. J. Mol. Specrosc. 1976, 61, 346.
8. Danielson, D. D.; Hedberg, K. J. Am. Chem. Soc. 1979, 101, 3730.
9. Hagen, K.; Hedberg, K. J. Am. Chem. Soc. 1973, 95, 8266.
10. Vedova, C. O. D.; Boese, R.; Willner, H.; Oberhammer, H. J. Phys. Chem. A 2004, 108, 861.
11. Jones, J. P.; Cornell, B. A.; Horn, E.; Tiekink, E. R. T. J. Crystallogr. Spectrosc. Res. 1989, 19, 715.
12. Miyazawa, T. J. Chem. Soc. Jpn. Pure Chem. Sect. 1954, 75, 540.
13. Katon, J. E.; Liu, S.-H. J. Mol. Struct. 1978, 48, 335.
14. Wilmhurst, J. K.; Horwood, J. F. J. Mol. Spectrosc. 1966, 21, 48.
15. Durig, J. R.; Brown, S. C. J. Mol. Struct. 1976, 31, 11.
16. Sipachev, V. A. J. Mol. Struct. (THEOCHEM) 1985, 121, 143; Sipachev, V. A. In Advances in Molecular Structure Research; Hargittai, I.; Hargittai, M., Eds.; JAI: New York, 1999, 5, 263.
17. Sipachev, V. A. J. Mol. Struct. (THEOCHEM) 1985, 121, 143; Sipachev, V. A. In Advances in Molecular Structure Research; Hargittai, I.; Hargittai, M., Eds.; JAI: New York, 1999, 5, 263.
18. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; et al. GAUSSIAN 03W, version 6.0; Gaussian Inc.: Pittsburg, PA, 2003.
19. Shibata, S.; Jejeina, K.; Tani, R.; Nakanuita, J. Rep. Fac. Sci. Pleizieoka Univ. 1974, 9, 33.
20. Atavin, E. G.; Vilkov, L. V. Instrum. Exp. Tech. 2002, 45, 27.
21. Vilkov, L. V.; Mastryukov, V. S.; Sadova, N. I. Determination of the Geometrical Structure of Free Molecules; Mir: Moscow, 1983, p. 280.