Experimental and calculated momentum densities for the complete valence orbitals of the antimicrobial agent diacetyl

Chinese Physics

Volumn 14, Issue 10, 2005, Pages 1966-1973

  Su, Guo Lin ^a   Ren, Xue Guang ^a   Zhang, Shu Feng ^a   Ning, Chuan Gang ^a   Zhou, Hui ^a   Li, Bin ^a   Li, Gui Qin ^a   Deng, Jing Kang ^a  

^a TSINGHUA UNIVERSITY   (China)

Author keywords

Diacetyl; Electron correlation effects; Electron momentum profiles; Ionization energy

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; CORRELATION METHODS; HIGH RESOLUTION ELECTRON MICROSCOPY; IONIZATION; ORGANIC COMPOUNDS;

DIACETYL; ELECTRON CORRELATION EFFECTS; ELECTRON MOMENTUM PROFILES; IONIZATION ENERGY;

ELECTRONIC STRUCTURE;

EID: 25644434850     PISSN: 10091963     EISSN: None     Source Type: Journal    
DOI: 10.1088/1009-1963/14/10/009     Document Type: Article

References (34)

1. Amaldi U, Egidi A, Marconero R and Pizzella R 1969 Rev. Sci. Instrum. 40 1001
2. Weigold E, Hood S T and Teubner O J O 1973 Phys. Rev. Lett. 20 475
3. McCarthy I E and Weigold E1991 Rep. Prog. Phys. 91 789
4. Brion C E 1993 Phys. Elec. At. Coll. Ed. T. Andersen 1993 AIP press, Proceedings (XVIII ICPEAC), New York 350
5. Leung K T 1991 Sci. Progress Oxford 75 157
6. Su G L, Ren X G et al 2005 Acta Phys. Sin. 54 4108 (in Chinese)
7. Zheng Y, Neville J J and Brion C E 1995 Science 270 786
8. Zhang S F, Su G L et al 2005 Acta Phys. Sin. 54 1552 (in Chinese)
9. Wu X J, Chen X J et al 2004 Chin. Phys. 13 1875
10. Su G L, Ning C G, Zhang S F et al 2004 Chem. Phys. Lett. 390 162
11. Su G L, Ning C G, Zhang S F et al 2005 J. Chem. Phys. 122 54301
12. Neville J J, Zheng Y and Brion C E 1996 J. Am. Chem. Soc. 118 10533
13. Litvinyuk I V, Zheng Y and Brion C E 2000 Chem. Phys. 253 41
14. Neville J J, Zheng Y, Hollebone B P, Cann N M, Brion C E, Kim C K and Wolf S 1996 Can. J. Phys. 74 773
15. Litvinyuk I V, Young J B, Zheng Y, Copper G and Brion C E 2001 Chem. Phys. 283 195
16. Lanciotti R, Patrignani R, Bagnolini F, Guerzoni M E and Gardini F 2003 Food Microbiol 20 537
17. Kimura K, Katsumata S, Achiba Y, Yamazaki T and Iwata S 1981 Handbook of Hel Photoelectron Spectra of Fundamental Organic Molecules Japan Scientific Society Tokyo p160
18. Niessen W Von, Bieri G and Åsbrink L L 1980 J. Electron Spectrosc. Relat. Phenom. 21 175
19. Hernández E J G, Estepa R G and Rivas I R 1995 Food Chem. 53 315
20. Deng J K, Li G Q, He Y et al 2001 J. Chem. Phys. 114 882
21. Ning C G, Deng J K, Su G L, Zhou H and Ren X G 2004 Rev. Sci. Instrum. 75 3062
22. Duffy P, Chong D P, Casida M E and Salahub D R 1994 Phys. Rev. A 50 4704
23. Gaussian 98 (Revision A.6), Frisch M J, Trucks G W, Schlegel H B et al Gaussian, Inc., Pittsburgh PA, 1998
24. Hehre W J, Stewart R F and Pople J A 1969 J. Chem. Phys. 51 2657
25. Krishnan R, Frisch M J and Pople J A 1980 J. Chem. Phys. 72 4244
26. Clark T, Chandrasekhar J, Spitznagel G W and Schleyer P V R 1983 J. Comp. Chem. 4 294
27. Frisch M J, Pople J A and Binkley J S 1984 J. Chem. Phys. 80 3265
28. Hagen K and Hedberg K 1973 J. Am. Chem. Soc. 95 8266
29. Duffy P, Casida M E, Brion C E and Chong D P 1992 Chem. Phys. 159 347
30. Fukui K 1971 Accounts Chem. 4 157
31. Woodward R B and Hoffman R 1970 The Conservation of Orbital Symmetry (Weinheim: Verlag Chemie)
32. Brion C E, Zheng Y, Rokle J, Neville J J, McCarthy I E and Wang J 1998 J. Phys. B 31 L223
33. Rolke J, Zheng Y, Brion C E, Shi Z, Wolfe S and Davidson E R 1999 Chem. Phys. 244 1
34. Rolke J, Zheng Y, Brion C E, Chakravorty S J, Davidson E R and McCarthy I E 1997 Chem. Phys. 215 191