Role of differential correlation energy in core ionization of pyrrole and pyridine
Tài liệu tham khảo
Hannay, 1999, J. Chem. Phys., 110, 5600, 10.1063/1.478458
Hövel, 2000, J. Chem. Phys., 112, 3909, 10.1063/1.480942
Kolczewski, 2001, J. Chem. Phys., 115, 6426, 10.1063/1.1397797
Carniato, 2002, J. Chem. Phys., 116, 3521, 10.1063/1.1446025
Casanovas, 1996, J. Am. Chem. Soc., 118, 8071, 10.1021/ja960338m
Duflot, 1998, J. Chem. Phys., 109, 5308, 10.1063/1.477149
Bagus, 1999, J. Electron Spectrosc. Relat. Phenom., 100, 215, 10.1016/S0368-2048(99)00048-1
Bagus, 1997, J. Chem. Phys., 106, 1661, 10.1063/1.473319
Å. Johansson, S. Stafströmy, J. Chem. Phys. 111 (1999) 3203.
Bagus, 1997, J. Electron Spectrosc. Relat. Phenom., 83, 151, 10.1016/S0368-2048(96)03095-2
Bagus, 1997, Chem. Phys. Lett., 272, 168, 10.1016/S0009-2614(97)88004-9
Petersson, 1991, J. Chem. Phys., 94, 6081, 10.1063/1.460447
Triguero, 1999, J. Electron Spetrosc., 104, 195, 10.1016/S0368-2048(99)00008-0
Koopmans, 1933, Physica, 1, 104, 10.1016/S0031-8914(34)90011-2
Schwartz, 1975, Chem. Phys., 11, 217, 10.1016/0301-0104(75)80001-2
Bagus, 1965, Phys. Rev., 139, 619, 10.1103/PhysRev.139.A619
Cavigliasso, 1999, J. Chem. Phys., 111, 9485, 10.1063/1.480279
Schmidt, 1993, J. Comput. Chem., 14, 1347, 10.1002/jcc.540141112
Tozer, 1993, Mol. Phys., 79, 777, 10.1080/00268979300101621
Chong, 1995, Chem. Phys. Lett., 232, 486, 10.1016/0009-2614(94)01378-9
Chong, 1995, J. Chem. Phys., 103, 1842, 10.1063/1.469758
Bureau, 1997, Chem. Phys. Lett., 264, 186, 10.1016/S0009-2614(96)01282-1
Bureau, 1997, J. Electron Spectrosc. Relat. Phenom., 83, 227, 10.1016/S0368-2048(96)03096-4
Bureau, 1997, Nucl. Instrum. Methods Phys. Res. B, 269, 1, 10.1016/S0168-583X(97)00410-2
Bureau, 1997, Chem. Phys. Lett., 249, 378, 10.1016/S0009-2614(97)00289-3
Chong, 1998, J. Chem. Phys., 108, 8950, 10.1063/1.476340
Takahata, 2003, J. Electron Spectrosc. Relat. Phenom., 133, 69, 10.1016/j.elspec.2003.08.001
Nyberg, 2000, J. Chem. Phys., 112, 12, 10.1063/1.481110
Hehre, 1972, J. Chem. Phys., 56, 2257, 10.1063/1.1677527
Hariharan, 1973, Theor. Chim. Acta, 28, 213, 10.1007/BF00533485
For convenience, we have both French and English versions of the http://www.ccr.jussieu.fr/lcpmr web site. For the French version, the address is (http://www.ccr.jussieu.fr/lcpmr/bases). For the English version, the address is (http://www.ccr.jussieu.fr/lcpmr/basis). A click onto the English flag, and the basis sets are available.
Schäfer, 1994, J. Chem. Phys., 100, 5829, 10.1063/1.467146
Web adress: http://www.emsl.pnl.gov/forms/basisform.html/Alrichs. polarization (unpublished result).
D.R. Lide (ed.), CRC Handbook of Chemistry and Physics, vol. 74, CRC Press Inc., Boca Raton, Ann Arbor, London, Tokyo, 1993–1994, pp. 9–38.
Jolly, 1984, At. Data Nucl. Data Tables, 31, 433, 10.1016/0092-640X(84)90011-1