THE ROTATION VIBRATION SPECTRUM AND DOUBLE-MINIMUM NU-12 POTENTIAL FUNCTION OF PROPADIENONE - A SEMIRIGID BENDER ANALYSIS

被引：31
作者：
BROWN, RD
GODFREY, PD
CHAMPION, R
机构：
来源：
JOURNAL OF MOLECULAR SPECTROSCOPY | 1987年 / 123卷 / 01期
关键词：
D O I：
10.1016/0022-2852(87)90264-5
中图分类号：
O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号：
070203 ; 070304 ; 081704 ; 1406 ;
摘要：
引用
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页码：93 / 125
页数：33
相关论文
共 51 条
[41]   VIBRATION-ROTATION-INVERSION HAMILTONIAN OF FORMALDEHYDE [J].
MOULE, DC ;
RAO, VSR .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1973, 45 (01) :120-141
[42]  
Mulliken R. S., 1997, J CHEM PHYS, V23, DOI DOI 10.1063/1.1740655)
[43]   VIBRATION-ROTATION INTERACTIONS AND CHOICE OF ROTATING AXES FOR POLYATOMIC-MOLECULES [J].
PICKETT, HM .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (04) :1715-&
[44]  
PITZENBERGER SM, 1983, THESIS U CALIFORNIA
[45]   VIBRATION-INVERSION-ROTATION SPECTRA OF AMMONIA - INVERSE EIGENVALUE PROBLEM FOR ONE-DIMENSIONAL SCHRODINGER EQUATION [J].
SPIRKO, V ;
STONE, JMR ;
PAPOUSEK, D .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1973, 48 (01) :38-46
[46]   ELECTRIC ANHARMONICITY IN XY3 PYRAMIDAL MOLECULES - DIPOLE-MOMENT FUNCTION OF (NH3)-N-14 AND (NH3)-N-15 [J].
SPIRKO, V .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1979, 74 (03) :456-464
[47]   ANALYTICAL MCSCF ENERGY GRADIENTS - TREATMENT OF SYMMETRY AND CASSCF APPLICATIONS TO PROPADIENONE [J].
TAYLOR, PR .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1984, 5 (06) :589-597
[48]  
TAYLOR PR, COMMUNICATION
[49]  
Watson J. K. G., 1977, VIBRATIONAL SPECTRA, V6
[50]   The vibration-rotation energy levels of polyatomic molecules I. Mathematical theory of semirigid asymmetrical top molecules [J].
Wilson, EB ;
Howard, JB .
JOURNAL OF CHEMICAL PHYSICS, 1936, 4 (04) :260-268
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